(3-aminophenyl)methyl N-propanimidoylcarbamate

C11H15N3O2 — CID 173193585

IUPAC(3-aminophenyl)methyl N-propanimidoylcarbamate
SMILES[H]/N=C(\CC)NC(=O)OCc1cccc(N)c1
InChIInChI=1S/C11H15N3O2/c1-2-10(13)14-11(15)16-7-8-4-3-5-9(12)6-8/h3-6H,2,7,12H2,1H3,(H2,13,14,15)
InChIKeyWCUMMRPBXIWVCN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.88
Rot. Bonds3

About (3-aminophenyl)methyl N-propanimidoylcarbamate

(3-aminophenyl)methyl N-propanimidoylcarbamate (PubChem CID 173193585) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-aminophenyl)methyl N-propanimidoylcarbamate.

Molecular Properties

Compound Name(3-aminophenyl)methyl N-propanimidoylcarbamate
PubChem CID173193585
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3-aminophenyl)methyl N-propanimidoylcarbamate
SMILES[H]/N=C(\CC)NC(=O)OCc1cccc(N)c1
InChIInChI=1S/C11H15N3O2/c1-2-10(13)14-11(15)16-7-8-4-3-5-9(12)6-8/h3-6H,2,7,12H2,1H3,(H2,13,14,15)
InChIKeyWCUMMRPBXIWVCN-UHFFFAOYSA-N
XLogP1.88
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (3-aminophenyl)methyl N-propanimidoylcarbamate 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

benzyl N-(C-methoxycarbonimidoyl)carbamate
CID 139267837
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one
CID 174428034
(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate
CID 10791831
3-[[(3-aminophenyl)methoxy-dipropylsilyl]oxymethyl]aniline
CID 123861716
(2S)-2-[2-[(3-aminophenyl)methoxycarbonylamino]ethylsulfonylamino]propanoic acid
CID 68795975
(3-aminophenyl)methyl (2S)-2-amino-3-phenylpropanoate
CID 57184101
[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 23220275
4-O-[[3-[[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamoyloxymethyl]phenyl]methyl] 1-O-methyl (E)-but-2-enedioate
CID 155095878
(3-aminophenyl)methyl thiophene-2-carboxylate
CID 175305802
ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)methyl N-propanimidoylcarbamate?
The IUPAC name of (3-aminophenyl)methyl N-propanimidoylcarbamate (CID 173193585) is (3-aminophenyl)methyl N-propanimidoylcarbamate.
What is the SMILES notation for (3-aminophenyl)methyl N-propanimidoylcarbamate?
The canonical SMILES for (3-aminophenyl)methyl N-propanimidoylcarbamate is [H]/N=C(\CC)NC(=O)OCc1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)methyl N-propanimidoylcarbamate?
The InChIKey is WCUMMRPBXIWVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-10(13)14-11(15)16-7-8-4-3-5-9(12)6-8/h3-6H,2,7,12H2,1H3,(H2,13,14,15).
What are the key properties of (3-aminophenyl)methyl N-propanimidoylcarbamate?
(3-aminophenyl)methyl N-propanimidoylcarbamate has a molecular weight of 221.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)methyl N-propanimidoylcarbamate is sourced from PubChem (CID 173193585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).