4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide

C17H20N2O — CID 7346867

IUPAC4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESC[C@@H](NC(=O)CCCc1ccccc1)c1ccncc1
InChIInChI=1S/C17H20N2O/c1-14(16-10-12-18-13-11-16)19-17(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyOBWQSJVHKCHDPD-CQSZACIVSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds6

About 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide

4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide (PubChem CID 7346867) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
PubChem CID7346867
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESC[C@@H](NC(=O)CCCc1ccccc1)c1ccncc1
InChIInChI=1S/C17H20N2O/c1-14(16-10-12-18-13-11-16)19-17(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyOBWQSJVHKCHDPD-CQSZACIVSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide
CID 96509361
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The IUPAC name of 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide (CID 7346867) is 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The canonical SMILES for 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide is C[C@@H](NC(=O)CCCc1ccccc1)c1ccncc1.
What is the InChIKey of 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The InChIKey is OBWQSJVHKCHDPD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14(16-10-12-18-13-11-16)19-17(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide has a molecular weight of 268.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide is sourced from PubChem (CID 7346867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).