ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate

C15H30N2O4 — CID 22635139

IUPACethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate
SMILESCCOC(=O)NCCCCC(C)C(C)(C)NC(=O)OCC
InChIInChI=1S/C15H30N2O4/c1-6-20-13(18)16-11-9-8-10-12(3)15(4,5)17-14(19)21-7-2/h12H,6-11H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyZNZHQSWNLWOILJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.06
Rot. Bonds9

About ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate

ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate (PubChem CID 22635139) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate
PubChem CID22635139
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Nameethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate
SMILESCCOC(=O)NCCCCC(C)C(C)(C)NC(=O)OCC
InChIInChI=1S/C15H30N2O4/c1-6-20-13(18)16-11-9-8-10-12(3)15(4,5)17-14(19)21-7-2/h12H,6-11H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyZNZHQSWNLWOILJ-UHFFFAOYSA-N
XLogP3.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-3-oxopent-4-en-2-yl) N-[2,3-dimethyl-7-[(4-methyl-3-oxopent-4-en-2-yl)oxycarbonylamino]heptan-2-yl]carbamate
CID 129094156
N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide
CID 126680891
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159
ethyl N-[8-(ethoxycarbonylamino)-2,2-dimethyloctan-4-yl]carbamate
CID 158492802
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethyl N-(4,4,5,5-tetramethylhexyl)carbamate
CID 59093404
methylamino 2,6-bis(ethoxycarbonylamino)hexanoate
CID 121420951
ethyl N-(6-bromohexyl)carbamate
CID 87279639
ethyl N-(5-oxopentyl)carbamate
CID 58601506
ethyl N-(4,4,4-trifluorobutyl)carbamate
CID 79039127

Frequently Asked Questions

What is the IUPAC name of ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate?
The IUPAC name of ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate (CID 22635139) is ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate?
The canonical SMILES for ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate is CCOC(=O)NCCCCC(C)C(C)(C)NC(=O)OCC.
What is the InChIKey of ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate?
The InChIKey is ZNZHQSWNLWOILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-6-20-13(18)16-11-9-8-10-12(3)15(4,5)17-14(19)21-7-2/h12H,6-11H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate?
ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate is sourced from PubChem (CID 22635139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).