N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide

C15H19N3O2 — CID 62058920

IUPACN-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCCOCC2)cc1
InChIInChI=1S/C15H19N3O2/c16-12-13-2-4-14(5-3-13)17-15(19)6-8-18-7-1-10-20-11-9-18/h2-5H,1,6-11H2,(H,17,19)
InChIKeyVIDIDTTUSPKIKB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.61
Rot. Bonds4

About N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide

N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide (PubChem CID 62058920) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
PubChem CID62058920
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCCOCC2)cc1
InChIInChI=1S/C15H19N3O2/c16-12-13-2-4-14(5-3-13)17-15(19)6-8-18-7-1-10-20-11-9-18/h2-5H,1,6-11H2,(H,17,19)
InChIKeyVIDIDTTUSPKIKB-UHFFFAOYSA-N
XLogP1.61
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
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N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
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N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
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N-(4-cyanophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
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3-[(3R)-3-aminopiperidin-1-yl]-N-(4-cyanophenyl)propanamide
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N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
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ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
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CID 78962066

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide (CID 62058920) is N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide is N#Cc1ccc(NC(=O)CCN2CCCOCC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The InChIKey is VIDIDTTUSPKIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-12-13-2-4-14(5-3-13)17-15(19)6-8-18-7-1-10-20-11-9-18/h2-5H,1,6-11H2,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide is sourced from PubChem (CID 62058920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).