N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide

C14H27N3O — CID 43162430

IUPACN-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
SMILESO=C(CCN1CCCNCC1)NC1CCCCC1
InChIInChI=1S/C14H27N3O/c18-14(16-13-5-2-1-3-6-13)7-11-17-10-4-8-15-9-12-17/h13,15H,1-12H2,(H,16,18)
InChIKeyORSDRSJKNHJDEO-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.12
Rot. Bonds4

About N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide

N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide (PubChem CID 43162430) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
PubChem CID43162430
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
SMILESO=C(CCN1CCCNCC1)NC1CCCCC1
InChIInChI=1S/C14H27N3O/c18-14(16-13-5-2-1-3-6-13)7-11-17-10-4-8-15-9-12-17/h13,15H,1-12H2,(H,16,18)
InChIKeyORSDRSJKNHJDEO-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide (CID 43162430) is N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide is O=C(CCN1CCCNCC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide?
The InChIKey is ORSDRSJKNHJDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c18-14(16-13-5-2-1-3-6-13)7-11-17-10-4-8-15-9-12-17/h13,15H,1-12H2,(H,16,18).
What are the key properties of N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide?
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide has a molecular weight of 253.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 43162430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).