N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane

C32H68N5O8P — CID 158520211

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane
SMILESC/N=P/C.CCCCCC(C)C(=O)NCCOCCOCCN.CCCCCC(C)C(=O)NCCOCCOCCNC(=O)OC
InChIInChI=1S/C16H32N2O5.C14H30N2O3.C2H6NP/c1-4-5-6-7-14(2)15(19)17-8-10-22-12-13-23-11-9-18-16(20)21-3;1-3-4-5-6-13(2)14(17)16-8-10-19-12-11-18-9-7-15;1-3-4-2/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20);13H,3-12,15H2,1-2H3,(H,16,17);1-2H3
InChIKeyHMCXNPWJHRPQLZ-UHFFFAOYSA-N
MW681.90 g/mol
LogP4.39
Rot. Bonds27

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane (PubChem CID 158520211) has the molecular formula C32H68N5O8P and a molecular weight of 681.90 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane
PubChem CID158520211
Molecular FormulaC32H68N5O8P
Molecular Weight681.90 g/mol
Exact Mass681.48
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane
SMILESC/N=P/C.CCCCCC(C)C(=O)NCCOCCOCCN.CCCCCC(C)C(=O)NCCOCCOCCNC(=O)OC
InChIInChI=1S/C16H32N2O5.C14H30N2O3.C2H6NP/c1-4-5-6-7-14(2)15(19)17-8-10-22-12-13-23-11-9-18-16(20)21-3;1-3-4-5-6-13(2)14(17)16-8-10-19-12-11-18-9-7-15;1-3-4-2/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20);13H,3-12,15H2,1-2H3,(H,16,17);1-2H3
InChIKeyHMCXNPWJHRPQLZ-UHFFFAOYSA-N
XLogP4.39
TPSA171.83 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500681.90
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 59595782
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 58954613
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
2-methyl-N-nonyldecanamide
CID 141429494
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide
CID 23503512
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane (CID 158520211) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane is C/N=P/C.CCCCCC(C)C(=O)NCCOCCOCCN.CCCCCC(C)C(=O)NCCOCCOCCNC(=O)OC.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane?
The InChIKey is HMCXNPWJHRPQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O5.C14H30N2O3.C2H6NP/c1-4-5-6-7-14(2)15(19)17-8-10-22-12-13-23-11-9-18-16(20)21-3;1-3-4-5-6-13(2)14(17)16-8-10-19-12-11-18-9-7-15;1-3-4-2/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20);13H,3-12,15H2,1-2H3,(H,16,17);1-2H3.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane has a molecular weight of 681.90 g/mol, XLogP of 4.39, 27 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylheptanamide;methyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate;methyl(methylimino)phosphane is sourced from PubChem (CID 158520211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).