N-(1-anilinopropyl)-2-methylprop-2-enamide

C13H18N2O — CID 141474243

IUPACN-(1-anilinopropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CC)Nc1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-12(15-13(16)10(2)3)14-11-8-6-5-7-9-11/h5-9,12,14H,2,4H2,1,3H3,(H,15,16)
InChIKeyWGJQRFKCKOWWOM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.53
Rot. Bonds5

About N-(1-anilinopropyl)-2-methylprop-2-enamide

N-(1-anilinopropyl)-2-methylprop-2-enamide (PubChem CID 141474243) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(1-anilinopropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-anilinopropyl)-2-methylprop-2-enamide
PubChem CID141474243
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(1-anilinopropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CC)Nc1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-12(15-13(16)10(2)3)14-11-8-6-5-7-9-11/h5-9,12,14H,2,4H2,1,3H3,(H,15,16)
InChIKeyWGJQRFKCKOWWOM-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-anilinopropyl)-2-methylprop-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

methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
(2S)-2-(2-methylprop-2-enoylamino)-2-phenylacetic acid
CID 22846521
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylprop-2-enamide
CID 101364759
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128
N-(3-anilinophenyl)-2-methylprop-2-enamide
CID 67511613
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
2-(2-methylprop-2-enoylamino)-2-phenylethanesulfonic acid
CID 19065609
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
methyl (2R)-2-anilinobutanoate
CID 51891380

Frequently Asked Questions

What is the IUPAC name of N-(1-anilinopropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-anilinopropyl)-2-methylprop-2-enamide (CID 141474243) is N-(1-anilinopropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-anilinopropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-anilinopropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(CC)Nc1ccccc1.
What is the InChIKey of N-(1-anilinopropyl)-2-methylprop-2-enamide?
The InChIKey is WGJQRFKCKOWWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-12(15-13(16)10(2)3)14-11-8-6-5-7-9-11/h5-9,12,14H,2,4H2,1,3H3,(H,15,16).
What are the key properties of N-(1-anilinopropyl)-2-methylprop-2-enamide?
N-(1-anilinopropyl)-2-methylprop-2-enamide has a molecular weight of 218.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilinopropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 141474243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).