N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide

C12H23N3O2 — CID 79400697

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-9(8-13-2)12(17)14-7-3-4-11(16)15-10-5-6-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQQUHGGXJNJUATK-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds8

About N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide

N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79400697) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79400697
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-9(8-13-2)12(17)14-7-3-4-11(16)15-10-5-6-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQQUHGGXJNJUATK-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 79195915
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride
CID 119728342
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
4-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-3-methylbutanoic acid
CID 81070939
N-[3-(cyclopropylamino)-3-oxopropyl]-2-(methylamino)propanamide
CID 79400764
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide (CID 79400697) is N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is QQUHGGXJNJUATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(8-13-2)12(17)14-7-3-4-11(16)15-10-5-6-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79400697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).