(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide

C16H29N3O2 — CID 97218782

IUPAC(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)CCC(=O)NC1CC1)N1CCCCCC1
InChIInChI=1S/C16H29N3O2/c1-13(19-10-5-3-4-6-11-19)16(21)18(2)12-9-15(20)17-14-7-8-14/h13-14H,3-12H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyLPMYPUAJWMEKOU-ZDUSSCGKSA-N
MW295.43 g/mol
LogP1.38
Rot. Bonds6

About (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide

(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide (PubChem CID 97218782) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide
PubChem CID97218782
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)CCC(=O)NC1CC1)N1CCCCCC1
InChIInChI=1S/C16H29N3O2/c1-13(19-10-5-3-4-6-11-19)16(21)18(2)12-9-15(20)17-14-7-8-14/h13-14H,3-12H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyLPMYPUAJWMEKOU-ZDUSSCGKSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62627967
2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 95934647
3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide
CID 146075742
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 120775612
2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111663081
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637395
3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
CID 62628133
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide
CID 86919311
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
N-cyclopropyl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 127274229
3-[4-aminobutan-2-yl(methyl)amino]-N-cyclopropylpropanamide
CID 63225816
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 55090982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide (CID 97218782) is (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide is C[C@@H](C(=O)N(C)CCC(=O)NC1CC1)N1CCCCCC1.
What is the InChIKey of (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide?
The InChIKey is LPMYPUAJWMEKOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13(19-10-5-3-4-6-11-19)16(21)18(2)12-9-15(20)17-14-7-8-14/h13-14H,3-12H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide?
(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide has a molecular weight of 295.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide is sourced from PubChem (CID 97218782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).