butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate

C15H21ClN2O4 — CID 145027142

IUPACbutyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate
SMILESCCCCOC(=O)NCC(O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4/c1-2-3-8-22-15(21)18-10-13(19)9-17-14(20)11-4-6-12(16)7-5-11/h4-7,13,19H,2-3,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyHJNMRKWZUKJZAU-UHFFFAOYSA-N
MW328.80 g/mol
LogP1.96
Rot. Bonds8

About butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate

butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate (PubChem CID 145027142) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Namebutyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate
PubChem CID145027142
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Namebutyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate
SMILESCCCCOC(=O)NCC(O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4/c1-2-3-8-22-15(21)18-10-13(19)9-17-14(20)11-4-6-12(16)7-5-11/h4-7,13,19H,2-3,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyHJNMRKWZUKJZAU-UHFFFAOYSA-N
XLogP1.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 51.96
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

4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
butyl 4-(butylcarbamoyl)benzoate
CID 71328248
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
methyl 3-[(4-butoxybenzoyl)amino]-2-chloropropanoate
CID 103492843
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
(2R,3S)-3-(butoxycarbonylamino)-3-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 22877110
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
3-(butoxycarbonylamino)-2-methylpropanoic acid
CID 87548601

Frequently Asked Questions

What is the IUPAC name of butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate?
The IUPAC name of butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate (CID 145027142) is butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate.
What is the SMILES notation for butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate?
The canonical SMILES for butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate is CCCCOC(=O)NCC(O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate?
The InChIKey is HJNMRKWZUKJZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-2-3-8-22-15(21)18-10-13(19)9-17-14(20)11-4-6-12(16)7-5-11/h4-7,13,19H,2-3,8-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate?
butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate has a molecular weight of 328.80 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate is sourced from PubChem (CID 145027142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).