N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide

C16H26N2O2 — CID 82984960

IUPACN-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C16H26N2O2/c1-3-6-13(7-4-2)16(19)18-14-8-5-9-15(12-14)20-11-10-17/h5,8-9,12-13H,3-4,6-7,10-11,17H2,1-2H3,(H,18,19)
InChIKeyNYHSGZDUQMPCGW-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.18
Rot. Bonds9

About N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide

N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide (PubChem CID 82984960) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
PubChem CID82984960
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C16H26N2O2/c1-3-6-13(7-4-2)16(19)18-14-8-5-9-15(12-14)20-11-10-17/h5,8-9,12-13H,3-4,6-7,10-11,17H2,1-2H3,(H,18,19)
InChIKeyNYHSGZDUQMPCGW-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471
methyl N-[3-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65229667
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
3-amino-4-oxo-4-(3-propoxyanilino)butanoic acid
CID 64894519
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide (CID 82984960) is N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cccc(OCCN)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide?
The InChIKey is NYHSGZDUQMPCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-6-13(7-4-2)16(19)18-14-8-5-9-15(12-14)20-11-10-17/h5,8-9,12-13H,3-4,6-7,10-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide?
N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide is sourced from PubChem (CID 82984960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).