2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide

C14H29N3O — CID 104979554

IUPAC2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C14H29N3O/c1-11(2)12(3)16-14(18)10-17(4)13-6-5-8-15-9-7-13/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyVLCFPWKFZWXKFP-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds5

About 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 104979554) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID104979554
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C14H29N3O/c1-11(2)12(3)16-14(18)10-17(4)13-6-5-8-15-9-7-13/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyVLCFPWKFZWXKFP-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 104979577
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 104979591
2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 102636474
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310
N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64851600
2-[methyl(piperidin-4-yl)amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119913617
2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide
CID 104979596
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 104979554) is 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN(C)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is VLCFPWKFZWXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)12(3)16-14(18)10-17(4)13-6-5-8-15-9-7-13/h11-13,15H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 104979554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).