N-carbamoyl-N,3-dimethylbutanamide

C7H14N2O2 — CID 121479139

IUPACN-carbamoyl-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-5(2)4-6(10)9(3)7(8)11/h5H,4H2,1-3H3,(H2,8,11)
InChIKeyUAFZZICIPBIRQO-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.57
Rot. Bonds2

About N-carbamoyl-N,3-dimethylbutanamide

N-carbamoyl-N,3-dimethylbutanamide (PubChem CID 121479139) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-carbamoyl-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-N,3-dimethylbutanamide
PubChem CID121479139
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-carbamoyl-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-5(2)4-6(10)9(3)7(8)11/h5H,4H2,1-3H3,(H2,8,11)
InChIKeyUAFZZICIPBIRQO-UHFFFAOYSA-N
XLogP0.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-carbamoyl-N,3-dimethylbutanamide 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

N-carbamoyl-2-hydroxy-N-methylacetamide
CID 160682561
(2S)-4-methyl-2-[methyl-[2-[methyl(3-methylbutanoyl)amino]prop-2-enoyl]amino]pentanamide
CID 87281087
N-ethyl-N,3-dimethylbutanamide
CID 18505916
3-methylbutanamide
CID 87933309
N-methoxy-N,3-dimethylbutanamide
CID 10975620
hydrazine;3-methylbutanoic acid
CID 175217584
3-methylbutanoic acid
CID 20849036
N-(1-chloropropan-2-yl)-N,3-dimethylbutanamide
CID 104555865
N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 144977230
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
CID 87948469
CID 87948469

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N,3-dimethylbutanamide?
The IUPAC name of N-carbamoyl-N,3-dimethylbutanamide (CID 121479139) is N-carbamoyl-N,3-dimethylbutanamide.
What is the SMILES notation for N-carbamoyl-N,3-dimethylbutanamide?
The canonical SMILES for N-carbamoyl-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)C(N)=O.
What is the InChIKey of N-carbamoyl-N,3-dimethylbutanamide?
The InChIKey is UAFZZICIPBIRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)4-6(10)9(3)7(8)11/h5H,4H2,1-3H3,(H2,8,11).
What are the key properties of N-carbamoyl-N,3-dimethylbutanamide?
N-carbamoyl-N,3-dimethylbutanamide has a molecular weight of 158.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N,3-dimethylbutanamide is sourced from PubChem (CID 121479139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).