(3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide

C14H21ClN2O3 — CID 41119164

IUPAC(3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide
SMILESC[C@@H](CC(=O)Nc1ccc(Cl)cc1)NCCOCCO
InChIInChI=1S/C14H21ClN2O3/c1-11(16-6-8-20-9-7-18)10-14(19)17-13-4-2-12(15)3-5-13/h2-5,11,16,18H,6-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyNOCKAYVSDNGVPC-NSHDSACASA-N
MW300.79 g/mol
LogP1.66
Rot. Bonds9

About (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide

(3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide (PubChem CID 41119164) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide.

Molecular Properties

Compound Name(3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide
PubChem CID41119164
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name(3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide
SMILESC[C@@H](CC(=O)Nc1ccc(Cl)cc1)NCCOCCO
InChIInChI=1S/C14H21ClN2O3/c1-11(16-6-8-20-9-7-18)10-14(19)17-13-4-2-12(15)3-5-13/h2-5,11,16,18H,6-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyNOCKAYVSDNGVPC-NSHDSACASA-N
XLogP1.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
4-(2,5-dichloroanilino)-2-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid
CID 3378943
N-(4-chlorophenyl)-3-(dimethylamino)butanamide
CID 123590846
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
CID 92707965
(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
CID 97019377
N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159836
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
(3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide
CID 97232876
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379
(2R)-2-(2-aminoethylamino)-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7590969

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide?
The IUPAC name of (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide (CID 41119164) is (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide.
What is the SMILES notation for (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide?
The canonical SMILES for (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide is C[C@@H](CC(=O)Nc1ccc(Cl)cc1)NCCOCCO.
What is the InChIKey of (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide?
The InChIKey is NOCKAYVSDNGVPC-NSHDSACASA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-11(16-6-8-20-9-7-18)10-14(19)17-13-4-2-12(15)3-5-13/h2-5,11,16,18H,6-10H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide?
(3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide has a molecular weight of 300.79 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide is sourced from PubChem (CID 41119164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).