N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide

C12H23N3O — CID 43348717

IUPACN-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCNCC1)C1CC1
InChIInChI=1S/C12H23N3O/c1-2-15(11-4-5-11)12(16)10-14-8-3-6-13-7-9-14/h11,13H,2-10H2,1H3
InChIKeyKWOXVBWANDFAQF-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds4

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

N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide (PubChem CID 43348717) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
PubChem CID43348717
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCNCC1)C1CC1
InChIInChI=1S/C12H23N3O/c1-2-15(11-4-5-11)12(16)10-14-8-3-6-13-7-9-14/h11,13H,2-10H2,1H3
InChIKeyKWOXVBWANDFAQF-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
CID 62837604
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 119906027
N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 107398558
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119906026
ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate
CID 54944312
2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
CID 62837819
2-(1,4-diazepan-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63166632
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide (CID 43348717) is N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide is CCN(C(=O)CN1CCCNCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide?
The InChIKey is KWOXVBWANDFAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-15(11-4-5-11)12(16)10-14-8-3-6-13-7-9-14/h11,13H,2-10H2,1H3.
What are the key properties of N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide?
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.29, 4 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-ethylacetamide is sourced from PubChem (CID 43348717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).