(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide

C15H21NO — CID 6159715

IUPAC(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO/c1-4-11-16-15(17)10-7-13-5-8-14(9-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,16,17)/b10-7+
InChIKeyGWEQXQSQUOIQTE-JXMROGBWSA-N
MW231.34 g/mol
LogP3.35
Rot. Bonds5

About (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide

(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide (PubChem CID 6159715) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
PubChem CID6159715
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO/c1-4-11-16-15(17)10-7-13-5-8-14(9-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,16,17)/b10-7+
InChIKeyGWEQXQSQUOIQTE-JXMROGBWSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2927461
(E)-N-but-3-enyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 113466047
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetic acid
CID 43239068
methyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoate
CID 102534511
ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetate
CID 6087824
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
CID 73010677
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005654
(E)-N-[2-(4-chloropyrazol-1-yl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19283339
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide (CID 6159715) is (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide is CCCNC(=O)/C=C/c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide?
The InChIKey is GWEQXQSQUOIQTE-JXMROGBWSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-11-16-15(17)10-7-13-5-8-14(9-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,16,17)/b10-7+.
What are the key properties of (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide?
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 6159715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).