3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide

C12H24N2O2 — CID 106292266

IUPAC3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide
SMILESCCCC(C)(O)CNC(=O)CCNC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-7-12(2,16)9-14-11(15)6-8-13-10-4-5-10/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeySNWAOOPUGYJPCJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.80
Rot. Bonds8

About 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide

3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide (PubChem CID 106292266) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide
PubChem CID106292266
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide
SMILESCCCC(C)(O)CNC(=O)CCNC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-7-12(2,16)9-14-11(15)6-8-13-10-4-5-10/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeySNWAOOPUGYJPCJ-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103713019
3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
CID 61060237
4-hydroxy-N-(2-hydroxy-2-methylpentyl)pentanamide
CID 106295714
N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
CID 113246007
N-propyl-3-(thian-4-ylamino)propanamide
CID 61060687
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol
CID 106290615
3-(cyclopropylamino)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 60841584
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 113240352
3-(cyclopropylamino)-N-[2-[ethyl(methyl)amino]ethyl]propanamide
CID 62640423

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide (CID 106292266) is 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide is CCCC(C)(O)CNC(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide?
The InChIKey is SNWAOOPUGYJPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-7-12(2,16)9-14-11(15)6-8-13-10-4-5-10/h10,13,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide?
3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide is sourced from PubChem (CID 106292266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).