2-(phenylcarbamoylamino)butyl N-phenylcarbamate

C18H21N3O3 — CID 123547961

IUPAC2-(phenylcarbamoylamino)butyl N-phenylcarbamate
SMILESCCC(COC(=O)Nc1ccccc1)NC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-2-14(19-17(22)20-15-9-5-3-6-10-15)13-24-18(23)21-16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyWUWQSVGZTNXXOG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.84
Rot. Bonds6

About 2-(phenylcarbamoylamino)butyl N-phenylcarbamate

2-(phenylcarbamoylamino)butyl N-phenylcarbamate (PubChem CID 123547961) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(phenylcarbamoylamino)butyl N-phenylcarbamate.

Molecular Properties

Compound Name2-(phenylcarbamoylamino)butyl N-phenylcarbamate
PubChem CID123547961
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(phenylcarbamoylamino)butyl N-phenylcarbamate
SMILESCCC(COC(=O)Nc1ccccc1)NC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-2-14(19-17(22)20-15-9-5-3-6-10-15)13-24-18(23)21-16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyWUWQSVGZTNXXOG-UHFFFAOYSA-N
XLogP3.84
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(phenylcarbamoylamino)butyl N-phenylcarbamate 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-(methoxycarbonylamino)butyl N-phenylcarbamate
CID 3136023
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
CID 95583256
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
CID 138401907
ethyl (2S)-3-amino-2-(phenylcarbamoylamino)propanoate
CID 59103872
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea
CID 23937340
3-methylbutyl N-phenylcarbamate
CID 69480810
3-methylbut-2-enyl N-phenylcarbamate
CID 824835
2-ethoxyethyl N-phenylcarbamate
CID 4101389

Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoylamino)butyl N-phenylcarbamate?
The IUPAC name of 2-(phenylcarbamoylamino)butyl N-phenylcarbamate (CID 123547961) is 2-(phenylcarbamoylamino)butyl N-phenylcarbamate.
What is the SMILES notation for 2-(phenylcarbamoylamino)butyl N-phenylcarbamate?
The canonical SMILES for 2-(phenylcarbamoylamino)butyl N-phenylcarbamate is CCC(COC(=O)Nc1ccccc1)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-(phenylcarbamoylamino)butyl N-phenylcarbamate?
The InChIKey is WUWQSVGZTNXXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-14(19-17(22)20-15-9-5-3-6-10-15)13-24-18(23)21-16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,21,23)(H2,19,20,22).
What are the key properties of 2-(phenylcarbamoylamino)butyl N-phenylcarbamate?
2-(phenylcarbamoylamino)butyl N-phenylcarbamate has a molecular weight of 327.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoylamino)butyl N-phenylcarbamate is sourced from PubChem (CID 123547961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).