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

C18H27N3O — CID 119906027

IUPACN-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CN2CCCNCC2)C2CC2)cc1
InChIInChI=1S/C18H27N3O/c1-15-3-5-16(6-4-15)13-21(17-7-8-17)18(22)14-20-11-2-9-19-10-12-20/h3-6,17,19H,2,7-14H2,1H3
InChIKeyFZQJBXOHPQZMNS-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.78
Rot. Bonds5

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

N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 119906027) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID119906027
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CN2CCCNCC2)C2CC2)cc1
InChIInChI=1S/C18H27N3O/c1-15-3-5-16(6-4-15)13-21(17-7-8-17)18(22)14-20-11-2-9-19-10-12-20/h3-6,17,19H,2,7-14H2,1H3
InChIKeyFZQJBXOHPQZMNS-UHFFFAOYSA-N
XLogP1.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119906026
2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119905981
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-ethylpiperidine-4-carboxamide
CID 87016268
3-[1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101136
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
CID 62837604
2-(1,4-diazepan-1-yl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 62837368
(3S,4S)-1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120849
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide
CID 43237174
2-(1,4-diazepan-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 62837417
N-cyclopropyl-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 78898198

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 119906027) is N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C(=O)CN2CCCNCC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is FZQJBXOHPQZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-15-3-5-16(6-4-15)13-21(17-7-8-17)18(22)14-20-11-2-9-19-10-12-20/h3-6,17,19H,2,7-14H2,1H3.
What are the key properties of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 119906027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).