2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide

C19H30N4O2 — CID 36588357

IUPAC2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CNc1ccccc1N1CCCCCC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)22-18(25)21-17(24)14-20-15-10-6-7-11-16(15)23-12-8-4-5-9-13-23/h6-7,10-11,20H,4-5,8-9,12-14H2,1-3H3,(H2,21,22,24,25)
InChIKeyLLDCNZRPGUXLNS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.10
Rot. Bonds4

About 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide

2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 36588357) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide
PubChem CID36588357
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CNc1ccccc1N1CCCCCC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)22-18(25)21-17(24)14-20-15-10-6-7-11-16(15)23-12-8-4-5-9-13-23/h6-7,10-11,20H,4-5,8-9,12-14H2,1-3H3,(H2,21,22,24,25)
InChIKeyLLDCNZRPGUXLNS-UHFFFAOYSA-N
XLogP3.10
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
CID 25349530
N-benzhydryl-2-(2-piperidin-1-ylanilino)acetamide
CID 9324469
2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9100126
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085
N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100145
N-(tert-butylcarbamoyl)-2-(2-phenylanilino)acetamide
CID 42068095
2-[2-(azepan-1-yl)anilino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 37220494
N-(tert-butylcarbamoyl)-2-(3-chloro-2-methylanilino)acetamide
CID 26507318
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 26509429
N-naphthalen-2-yl-2-(2-piperidin-1-ylanilino)acetamide
CID 9100114
N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide
CID 36864784

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide (CID 36588357) is 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide is CC(C)(C)NC(=O)NC(=O)CNc1ccccc1N1CCCCCC1.
What is the InChIKey of 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is LLDCNZRPGUXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)22-18(25)21-17(24)14-20-15-10-6-7-11-16(15)23-12-8-4-5-9-13-23/h6-7,10-11,20H,4-5,8-9,12-14H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide?
2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 346.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 36588357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).