2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide

C12H25N3O2 — CID 63053045

IUPAC2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
SMILESCOCC(C)N(C)CCC(NC1CC1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-9(8-17-3)15(2)7-6-11(12(13)16)14-10-4-5-10/h9-11,14H,4-8H2,1-3H3,(H2,13,16)
InChIKeyVXBGQKLPWNDLGP-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds9

About 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide

2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide (PubChem CID 63053045) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
PubChem CID63053045
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
SMILESCOCC(C)N(C)CCC(NC1CC1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-9(8-17-3)15(2)7-6-11(12(13)16)14-10-4-5-10/h9-11,14H,4-8H2,1-3H3,(H2,13,16)
InChIKeyVXBGQKLPWNDLGP-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide 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-(ethylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63055682
2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]butanamide
CID 63055154
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
CID 63027237
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 55143527
2-(cyclopentylamino)-3-methoxypropanamide
CID 115924491
2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 63052904
2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide
CID 63055288
ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63028837
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81073752
2-(cyclopropylamino)-4-(cyclopropylmethoxy)butanamide
CID 63040627
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide (CID 63053045) is 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide is COCC(C)N(C)CCC(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide?
The InChIKey is VXBGQKLPWNDLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(8-17-3)15(2)7-6-11(12(13)16)14-10-4-5-10/h9-11,14H,4-8H2,1-3H3,(H2,13,16).
What are the key properties of 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide?
2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide is sourced from PubChem (CID 63053045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).