(2S)-N-(3-butoxypropyl)-2-chloropropanamide

C10H20ClNO2 — CID 92660561

IUPAC(2S)-N-(3-butoxypropyl)-2-chloropropanamide
SMILESCCCCOCCCNC(=O)[C@H](C)Cl
InChIInChI=1S/C10H20ClNO2/c1-3-4-7-14-8-5-6-12-10(13)9(2)11/h9H,3-8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyYBRVOZGKKUIUGS-VIFPVBQESA-N
MW221.73 g/mol
LogP1.94
Rot. Bonds8

About (2S)-N-(3-butoxypropyl)-2-chloropropanamide

(2S)-N-(3-butoxypropyl)-2-chloropropanamide (PubChem CID 92660561) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is (2S)-N-(3-butoxypropyl)-2-chloropropanamide.

Molecular Properties

Compound Name(2S)-N-(3-butoxypropyl)-2-chloropropanamide
PubChem CID92660561
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name(2S)-N-(3-butoxypropyl)-2-chloropropanamide
SMILESCCCCOCCCNC(=O)[C@H](C)Cl
InChIInChI=1S/C10H20ClNO2/c1-3-4-7-14-8-5-6-12-10(13)9(2)11/h9H,3-8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyYBRVOZGKKUIUGS-VIFPVBQESA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-N-(3-butoxypropyl)-2-chloropropanamide 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

N-(2-butoxyethyl)-2-chloropropanamide
CID 61177206
2-chloro-N-(3-propoxypropylcarbamoyl)propanamide
CID 82943855
2-bromo-N-(3-butoxypropyl)-3-methylbutanamide
CID 115649429
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
3-butoxypropylurea
CID 115575573
2-bromo-N-(2-butoxyethyl)propanamide
CID 107904787
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
CID 156795155
4-amino-N-(3-butoxypropyl)-3-methylbutanamide
CID 115737913
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-butoxypropyl)-2-chloropropanamide?
The IUPAC name of (2S)-N-(3-butoxypropyl)-2-chloropropanamide (CID 92660561) is (2S)-N-(3-butoxypropyl)-2-chloropropanamide.
What is the SMILES notation for (2S)-N-(3-butoxypropyl)-2-chloropropanamide?
The canonical SMILES for (2S)-N-(3-butoxypropyl)-2-chloropropanamide is CCCCOCCCNC(=O)[C@H](C)Cl.
What is the InChIKey of (2S)-N-(3-butoxypropyl)-2-chloropropanamide?
The InChIKey is YBRVOZGKKUIUGS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-3-4-7-14-8-5-6-12-10(13)9(2)11/h9H,3-8H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-N-(3-butoxypropyl)-2-chloropropanamide?
(2S)-N-(3-butoxypropyl)-2-chloropropanamide has a molecular weight of 221.73 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-butoxypropyl)-2-chloropropanamide is sourced from PubChem (CID 92660561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).