N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide

C13H27N3O — CID 61240012

IUPACN-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H27N3O/c1-12(2)15-11-13(17)14-7-10-16-8-5-3-4-6-9-16/h12,15H,3-11H2,1-2H3,(H,14,17)
InChIKeyQNZCHWNPRJBXKO-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide

N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide (PubChem CID 61240012) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
PubChem CID61240012
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H27N3O/c1-12(2)15-11-13(17)14-7-10-16-8-5-3-4-6-9-16/h12,15H,3-11H2,1-2H3,(H,14,17)
InChIKeyQNZCHWNPRJBXKO-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 60852471
N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 112686819
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
CID 2225388
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
CID 7318552
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide (CID 61240012) is N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is QNZCHWNPRJBXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(2)15-11-13(17)14-7-10-16-8-5-3-4-6-9-16/h12,15H,3-11H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide?
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 61240012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).