(3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide

C19H29NO — CID 162405396

IUPAC(3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide
SMILESC=CC(CCc1ccccc1)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H29NO/c1-6-17(12-13-18-10-8-7-9-11-18)14-19(21)20(15(2)3)16(4)5/h6-11,15-17H,1,12-14H2,2-5H3
InChIKeyXPACLRAEMGVYTN-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.46
Rot. Bonds8

About (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide

(3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide (PubChem CID 162405396) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide.

Molecular Properties

Compound Name(3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide
PubChem CID162405396
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide
SMILESC=CC(CCc1ccccc1)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H29NO/c1-6-17(12-13-18-10-8-7-9-11-18)14-19(21)20(15(2)3)16(4)5/h6-11,15-17H,1,12-14H2,2-5H3
InChIKeyXPACLRAEMGVYTN-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-benzylphenyl)-1,1-difluoro-4-(2-phenylethyl)hex-5-en-2-one
CID 10046817
(3R)-3-ethenyl-1,6-diphenylhexan-1-one
CID 134956601
2-methyl-4-phenylbutanoic acid
CID 66896591
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
S-(5-phenylpent-1-en-3-yl) ethanethioate
CID 15536305
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
5-phenylpent-1-en-3-yl 2-bromopropanoate
CID 139257461
(3R)-3-benzylpent-4-enoic acid
CID 124641906
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-ethenyl-3-methyl-5-phenylpentan-1-ol
CID 129208620

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide?
The IUPAC name of (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide (CID 162405396) is (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide.
What is the SMILES notation for (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide?
The canonical SMILES for (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide is C=CC(CCc1ccccc1)CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide?
The InChIKey is XPACLRAEMGVYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-6-17(12-13-18-10-8-7-9-11-18)14-19(21)20(15(2)3)16(4)5/h6-11,15-17H,1,12-14H2,2-5H3.
What are the key properties of (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide?
(3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide has a molecular weight of 287.45 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-phenylethyl)-N,N-di(propan-2-yl)pent-4-enamide is sourced from PubChem (CID 162405396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).