N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide

C18H25N3O2 — CID 37105606

IUPACN-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
SMILESCc1cccc(C(=O)N2CCCN(CC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C18H25N3O2/c1-14-4-2-5-15(12-14)18(23)21-9-3-8-20(10-11-21)13-17(22)19-16-6-7-16/h2,4-5,12,16H,3,6-11,13H2,1H3,(H,19,22)
InChIKeyQSGANUAKSSSMPM-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.42
Rot. Bonds4

About N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide

N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 37105606) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
PubChem CID37105606
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
SMILESCc1cccc(C(=O)N2CCCN(CC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C18H25N3O2/c1-14-4-2-5-15(12-14)18(23)21-9-3-8-20(10-11-21)13-17(22)19-16-6-7-16/h2,4-5,12,16H,3,6-11,13H2,1H3,(H,19,22)
InChIKeyQSGANUAKSSSMPM-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 128926637
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 134045309
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 30828376
N-(2-acetamidoethyl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37110740
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
N-cyclopropyl-2-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 35373224
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78896065
N-heptan-2-yl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 134045311
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37106094

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide (CID 37105606) is N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide is Cc1cccc(C(=O)N2CCCN(CC(=O)NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is QSGANUAKSSSMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-4-2-5-15(12-14)18(23)21-9-3-8-20(10-11-21)13-17(22)19-16-6-7-16/h2,4-5,12,16H,3,6-11,13H2,1H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide?
N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 37105606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).