N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide

C18H27N3O2 — CID 119906984

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCCNCC2)C2CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-23-16-7-5-15(6-8-16)18(14-3-4-14)20-17(22)13-21-11-2-9-19-10-12-21/h5-8,14,18-19H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyZQZIDUSSLWIMKC-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.56
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 119906984) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
PubChem CID119906984
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCCNCC2)C2CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-23-16-7-5-15(6-8-16)18(14-3-4-14)20-17(22)13-21-11-2-9-19-10-12-21/h5-8,14,18-19H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyZQZIDUSSLWIMKC-UHFFFAOYSA-N
XLogP1.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113849
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 100895743
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 86984171
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120775947
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
CID 71877589
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 55523800
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839
2-(4-cyclohexyloxypiperidin-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 86873908

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide (CID 119906984) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide is COc1ccc(C(NC(=O)CN2CCCNCC2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is ZQZIDUSSLWIMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-23-16-7-5-15(6-8-16)18(14-3-4-14)20-17(22)13-21-11-2-9-19-10-12-21/h5-8,14,18-19H,2-4,9-13H2,1H3,(H,20,22).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 119906984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).