N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C20H28N4O — CID 157140532

IUPACN-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2cn(CC3CC3)nn2)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)10-16-6-8-18(9-7-16)15(3)20(25)21-11-19-13-24(23-22-19)12-17-4-5-17/h6-9,13-15,17H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyPTAQBYRJNJCUMC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.31
Rot. Bonds8

About N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 157140532) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID157140532
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2cn(CC3CC3)nn2)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)10-16-6-8-18(9-7-16)15(3)20(25)21-11-19-13-24(23-22-19)12-17-4-5-17/h6-9,13-15,17H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyPTAQBYRJNJCUMC-UHFFFAOYSA-N
XLogP3.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]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

N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide
CID 10062669
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 122147436
2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide
CID 54782012
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide
CID 126835800
1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide
CID 10270719
2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 157140532) is N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)NCc2cn(CC3CC3)nn2)cc1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is PTAQBYRJNJCUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)10-16-6-8-18(9-7-16)15(3)20(25)21-11-19-13-24(23-22-19)12-17-4-5-17/h6-9,13-15,17H,4-5,10-12H2,1-3H3,(H,21,25).
What are the key properties of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 157140532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).