3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide

C17H35N3O — CID 107871018

IUPAC3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide
SMILESCNC(CN(CCC(C)C)CCC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C17H35N3O/c1-13(2)8-10-20(11-9-14(3)4)12-17(19-5,16(18)21)15-6-7-15/h13-15,19H,6-12H2,1-5H3,(H2,18,21)
InChIKeyFOHOQZGLALPCAS-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.23
Rot. Bonds11

About 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide

3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide (PubChem CID 107871018) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide
PubChem CID107871018
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide
SMILESCNC(CN(CCC(C)C)CCC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C17H35N3O/c1-13(2)8-10-20(11-9-14(3)4)12-17(19-5,16(18)21)15-6-7-15/h13-15,19H,6-12H2,1-5H3,(H2,18,21)
InChIKeyFOHOQZGLALPCAS-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-(methylamino)-3-[methyl(propan-2-yl)amino]propanamide
CID 63908080
2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide
CID 63910696
2-cyclopropyl-2-(methylamino)-3-[methyl(propyl)amino]propanamide
CID 63906423
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 107871619
2-cyclopropyl-3-[ethyl(2-methylpropyl)amino]-2-(propylamino)propanamide
CID 63908718
2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide
CID 79480286
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanamide
CID 63911477
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propyl)amino]propanamide
CID 63911092
2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide
CID 63919628
methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
CID 79480101
2-cyclopropyl-2-(2-methylpropylamino)butanamide
CID 64917197
2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide
CID 66128112

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide?
The IUPAC name of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide (CID 107871018) is 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide.
What is the SMILES notation for 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide?
The canonical SMILES for 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide is CNC(CN(CCC(C)C)CCC(C)C)(C(N)=O)C1CC1.
What is the InChIKey of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide?
The InChIKey is FOHOQZGLALPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-13(2)8-10-20(11-9-14(3)4)12-17(19-5,16(18)21)15-6-7-15/h13-15,19H,6-12H2,1-5H3,(H2,18,21).
What are the key properties of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide?
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide has a molecular weight of 297.49 g/mol, XLogP of 2.23, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide is sourced from PubChem (CID 107871018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).