2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide

C15H29N3O2 — CID 47168553

IUPAC2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCCN1CCCCCC1)C(C)C
InChIInChI=1S/C15H29N3O2/c1-12(2)14(17-13(3)19)15(20)16-8-11-18-9-6-4-5-7-10-18/h12,14H,4-11H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyHULQDNLSNPMCGS-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.14
Rot. Bonds6

About 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide

2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide (PubChem CID 47168553) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
PubChem CID47168553
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCCN1CCCCCC1)C(C)C
InChIInChI=1S/C15H29N3O2/c1-12(2)14(17-13(3)19)15(20)16-8-11-18-9-6-4-5-7-10-18/h12,14H,4-11H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyHULQDNLSNPMCGS-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 65229412
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 155960645
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781
2-acetamido-3-methyl-N-(3-methylbutyl)butanamide
CID 78784334
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
(2S)-N-[2-(azepan-1-yl)ethyl]-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanamide
CID 46482120
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
CID 2225388
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
5-amino-2-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 104684890

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide (CID 47168553) is 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide is CC(=O)NC(C(=O)NCCN1CCCCCC1)C(C)C.
What is the InChIKey of 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide?
The InChIKey is HULQDNLSNPMCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)14(17-13(3)19)15(20)16-8-11-18-9-6-4-5-7-10-18/h12,14H,4-11H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide?
2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide has a molecular weight of 283.42 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 47168553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).