(2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide

C14H24N4O — CID 164635860

IUPAC(2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CCN(C(=O)[C@@H](C)Cn1cncn1)C1CC1
InChIInChI=1S/C14H24N4O/c1-11(2)6-7-18(13-4-5-13)14(19)12(3)8-17-10-15-9-16-17/h9-13H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyVTQUGRFDHUIUKH-LBPRGKRZSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds7

About (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide

(2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 164635860) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID164635860
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CCN(C(=O)[C@@H](C)Cn1cncn1)C1CC1
InChIInChI=1S/C14H24N4O/c1-11(2)6-7-18(13-4-5-13)14(19)12(3)8-17-10-15-9-16-17/h9-13H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyVTQUGRFDHUIUKH-LBPRGKRZSA-N
XLogP1.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)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

3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]butanamide
CID 47029801
N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47018788
(3S*,4R*)-4-isopropyl-N,N-dimethyl-1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]pyrrolidin-3-amine
CID 72852643
rel-(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-3-pyrrolidinamine hydrochloride
CID 72880033
N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94615339
(2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide
CID 164642096
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 56740750
4-(cyclopropylmethyl)-3-isopropyl-1-[3-(1H-tetrazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 56867867
4-(cyclopropylmethyl)-3-isopropyl-1-[3-(4H-1,2,4-triazol-4-yl)propanoyl]-1,4-diazepan-5-one
CID 56878136
4-(cyclopropylmethyl)-3-isopropyl-1-(1H-1,2,4-triazol-1-ylacetyl)-1,4-diazepan-5-one
CID 56893482
N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]butanamide
CID 89981842
2,2-Dimethyl-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 126750372

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 164635860) is (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(C)CCN(C(=O)[C@@H](C)Cn1cncn1)C1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is VTQUGRFDHUIUKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)6-7-18(13-4-5-13)14(19)12(3)8-17-10-15-9-16-17/h9-13H,4-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 164635860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).