N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide

C14H27N3O — CID 62837604

IUPACN-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCCNCC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-12(2)10-17(13-4-5-13)14(18)11-16-8-3-6-15-7-9-16/h12-13,15H,3-11H2,1-2H3
InChIKeyIWOYRBHJOYFDAC-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds5

About N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide

N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 62837604) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID62837604
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCCNCC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-12(2)10-17(13-4-5-13)14(18)11-16-8-3-6-15-7-9-16/h12-13,15H,3-11H2,1-2H3
InChIKeyIWOYRBHJOYFDAC-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 62839862
2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62832566
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 119906027
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62837072
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119906026
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 87017795
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 62837257

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide (CID 62837604) is N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CN1CCCNCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is IWOYRBHJOYFDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)10-17(13-4-5-13)14(18)11-16-8-3-6-15-7-9-16/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide?
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 0.93, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 62837604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).