N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide

C19H23NO2 — CID 28632520

IUPACN-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
SMILESCC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-4-18(15-8-6-5-7-9-15)20-19(21)16-10-12-17(13-11-16)22-14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyKISAMMQJIORLKC-SFHVURJKSA-N
MW297.40 g/mol
LogP4.35
Rot. Bonds6

About N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide

N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide (PubChem CID 28632520) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
PubChem CID28632520
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
SMILESCC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-4-18(15-8-6-5-7-9-15)20-19(21)16-10-12-17(13-11-16)22-14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyKISAMMQJIORLKC-SFHVURJKSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
4-heptoxy-N-(1-phenylpropyl)benzamide
CID 43911534
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
4-propan-2-yloxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191484
N-(1-phenylpropyl)-2-propan-2-yloxybenzamide
CID 43911562
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367
3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 43092234

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide (CID 28632520) is N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide is CC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide?
The InChIKey is KISAMMQJIORLKC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-18(15-8-6-5-7-9-15)20-19(21)16-10-12-17(13-11-16)22-14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide?
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide has a molecular weight of 297.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 28632520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).