N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide

C17H24N2O — CID 87903078

IUPACN-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide
SMILESC=CC(C)(C)NCCCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C17H24N2O/c1-4-17(2,3)19-14-8-13-18-16(20)12-11-15-9-6-5-7-10-15/h4-7,9-12,19H,1,8,13-14H2,2-3H3,(H,18,20)
InChIKeyXDINTERTIGEUHA-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.76
Rot. Bonds8

About N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide

N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide (PubChem CID 87903078) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide
PubChem CID87903078
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide
SMILESC=CC(C)(C)NCCCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C17H24N2O/c1-4-17(2,3)19-14-8-13-18-16(20)12-11-15-9-6-5-7-10-15/h4-7,9-12,19H,1,8,13-14H2,2-3H3,(H,18,20)
InChIKeyXDINTERTIGEUHA-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide 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

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
4,4-dimethyl-6-(3-phenylprop-2-enoylamino)hexanoic acid
CID 77064543
N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
CID 76676980
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
(2S)-3-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]propanamide
CID 163193968
3-hydroxy-2-methylidene-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]butanamide
CID 10358401
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide (CID 87903078) is N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide is C=CC(C)(C)NCCCNC(=O)C=Cc1ccccc1.
What is the InChIKey of N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide?
The InChIKey is XDINTERTIGEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-17(2,3)19-14-8-13-18-16(20)12-11-15-9-6-5-7-10-15/h4-7,9-12,19H,1,8,13-14H2,2-3H3,(H,18,20).
What are the key properties of N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide?
N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide has a molecular weight of 272.39 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 87903078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).