(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C20H31NO — CID 6140170

IUPAC(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C20H31NO/c1-15(2)13-21(14-16(3)4)20(22)12-9-18-7-10-19(11-8-18)17(5)6/h7-12,15-17H,13-14H2,1-6H3/b12-9+
InChIKeyNXWYTUZSWVYNOI-FMIVXFBMSA-N
MW301.47 g/mol
LogP4.96
Rot. Bonds7

About (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 6140170) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID6140170
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C20H31NO/c1-15(2)13-21(14-16(3)4)20(22)12-9-18-7-10-19(11-8-18)17(5)6/h7-12,15-17H,13-14H2,1-6H3/b12-9+
InChIKeyNXWYTUZSWVYNOI-FMIVXFBMSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-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

(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
3-[ethyl-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]propanoic acid
CID 61007476
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 102603704
(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6026974
(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 115342798
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 76911218
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 719513
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005654
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 6140170) is (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)CN(CC(C)C)C(=O)/C=C/c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is NXWYTUZSWVYNOI-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H31NO/c1-15(2)13-21(14-16(3)4)20(22)12-9-18-7-10-19(11-8-18)17(5)6/h7-12,15-17H,13-14H2,1-6H3/b12-9+.
What are the key properties of (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 301.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 6140170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).