2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

C14H30N4O2 — CID 81491077

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C)CCC(N)C(C)C
InChIInChI=1S/C14H30N4O2/c1-10(2)8-16-14(20)17-13(19)9-18(5)7-6-12(15)11(3)4/h10-12H,6-9,15H2,1-5H3,(H2,16,17,19,20)
InChIKeySGFPINXHJUMPKG-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.77
Rot. Bonds8

About 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 81491077) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID81491077
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C)CCC(N)C(C)C
InChIInChI=1S/C14H30N4O2/c1-10(2)8-16-14(20)17-13(19)9-18(5)7-6-12(15)11(3)4/h10-12H,6-9,15H2,1-5H3,(H2,16,17,19,20)
InChIKeySGFPINXHJUMPKG-UHFFFAOYSA-N
XLogP0.77
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide 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-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 81490662
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 78964889
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 62015752
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
CID 115317830
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
CID 9123723
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8588228
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 114952829

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (CID 81491077) is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN(C)CCC(N)C(C)C.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is SGFPINXHJUMPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-10(2)8-16-14(20)17-13(19)9-18(5)7-6-12(15)11(3)4/h10-12H,6-9,15H2,1-5H3,(H2,16,17,19,20).
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 81491077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).