N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide

C14H27N3O — CID 79393828

IUPACN-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide
SMILESCCN1CCCC(NCCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-17-10-3-4-12(8-11-17)15-9-7-14(18)16-13-5-6-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyPZJKGWRDEJCIFU-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.12
Rot. Bonds6

About N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide

N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide (PubChem CID 79393828) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide
PubChem CID79393828
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide
SMILESCCN1CCCC(NCCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-17-10-3-4-12(8-11-17)15-9-7-14(18)16-13-5-6-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyPZJKGWRDEJCIFU-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-[(1-ethylazepan-4-yl)amino]propanoic acid
CID 65074143
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
3-(cyclopropylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60866717
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
N-(1-ethylpiperidin-4-yl)-4-hydroxybutanamide
CID 79192481
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 113293184
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
4-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073653
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
3-(azepan-4-ylamino)-N-cyclopropylpropanamide
CID 103982443

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide (CID 79393828) is N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide is CCN1CCCC(NCCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide?
The InChIKey is PZJKGWRDEJCIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-17-10-3-4-12(8-11-17)15-9-7-14(18)16-13-5-6-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide?
N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide has a molecular weight of 253.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide is sourced from PubChem (CID 79393828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).