3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide

C16H21N3O2 — CID 71854072

IUPAC3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide
SMILESO=C(CCNC(=O)NC1C=CCCC1)Nc1ccccc1
InChIInChI=1S/C16H21N3O2/c20-15(18-13-7-3-1-4-8-13)11-12-17-16(21)19-14-9-5-2-6-10-14/h1,3-5,7-9,14H,2,6,10-12H2,(H,18,20)(H2,17,19,21)
InChIKeyQEOKNLKPJWOFQB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.42
Rot. Bonds5

About 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide

3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide (PubChem CID 71854072) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide
PubChem CID71854072
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide
SMILESO=C(CCNC(=O)NC1C=CCCC1)Nc1ccccc1
InChIInChI=1S/C16H21N3O2/c20-15(18-13-7-3-1-4-8-13)11-12-17-16(21)19-14-9-5-2-6-10-14/h1,3-5,7-9,14H,2,6,10-12H2,(H,18,20)(H2,17,19,21)
InChIKeyQEOKNLKPJWOFQB-UHFFFAOYSA-N
XLogP2.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide 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-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110014616
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-[(1S)-cyclohex-2-en-1-yl]-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]urea
CID 97320446
3-acetamido-N-phenylpropanamide
CID 7946185
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
CID 119785804
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea
CID 127864776
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119785792
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide
CID 119785778

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide?
The IUPAC name of 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide (CID 71854072) is 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide?
The canonical SMILES for 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide is O=C(CCNC(=O)NC1C=CCCC1)Nc1ccccc1.
What is the InChIKey of 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide?
The InChIKey is QEOKNLKPJWOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(18-13-7-3-1-4-8-13)11-12-17-16(21)19-14-9-5-2-6-10-14/h1,3-5,7-9,14H,2,6,10-12H2,(H,18,20)(H2,17,19,21).
What are the key properties of 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide?
3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide is sourced from PubChem (CID 71854072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).