2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide

C17H28N2O2 — CID 63367662

IUPAC2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc([C@@H](N)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-14(6-2)19-17(20)12(4)21-15-10-8-13(9-11-15)16(18)7-3/h8-12,14,16H,5-7,18H2,1-4H3,(H,19,20)/t12?,16-/m0/s1
InChIKeyYNRMUYQQHCLVFU-INSVYWFGSA-N
MW292.42 g/mol
LogP3.17
Rot. Bonds8

About 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide

2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide (PubChem CID 63367662) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
PubChem CID63367662
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc([C@@H](N)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-14(6-2)19-17(20)12(4)21-15-10-8-13(9-11-15)16(18)7-3/h8-12,14,16H,5-7,18H2,1-4H3,(H,19,20)/t12?,16-/m0/s1
InChIKeyYNRMUYQQHCLVFU-INSVYWFGSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63364137
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide
CID 78930256
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78930257
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]-N-pentan-3-ylpropanamide
CID 79775506
5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794170

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide (CID 63367662) is 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1ccc([C@@H](N)CC)cc1.
What is the InChIKey of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is YNRMUYQQHCLVFU-INSVYWFGSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-14(6-2)19-17(20)12(4)21-15-10-8-13(9-11-15)16(18)7-3/h8-12,14,16H,5-7,18H2,1-4H3,(H,19,20)/t12?,16-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide?
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63367662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).