N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide

C21H24N4O — CID 95625443

IUPACN-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESC[C@@H](c1ccc2ccccc2c1)N(C(=O)CCCn1cncn1)C1CC1
InChIInChI=1S/C21H24N4O/c1-16(18-9-8-17-5-2-3-6-19(17)13-18)25(20-10-11-20)21(26)7-4-12-24-15-22-14-23-24/h2-3,5-6,8-9,13-16,20H,4,7,10-12H2,1H3/t16-/m0/s1
InChIKeyUWZWANIHVITNGV-INIZCTEOSA-N
MW348.45 g/mol
LogP3.96
Rot. Bonds7

About N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide

N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 95625443) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID95625443
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESC[C@@H](c1ccc2ccccc2c1)N(C(=O)CCCn1cncn1)C1CC1
InChIInChI=1S/C21H24N4O/c1-16(18-9-8-17-5-2-3-6-19(17)13-18)25(20-10-11-20)21(26)7-4-12-24-15-22-14-23-24/h2-3,5-6,8-9,13-16,20H,4,7,10-12H2,1H3/t16-/m0/s1
InChIKeyUWZWANIHVITNGV-INIZCTEOSA-N
XLogP3.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide with MolForge

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Related Compounds

N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 51092582
4-amino-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 119303600
2-(4-aminophenyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)acetamide
CID 119749324
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 96533403
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 50984893
N-cyclopropyl-2-methyl-3-(methylamino)-N-(1-naphthalen-2-ylethyl)propanamide;hydrochloride
CID 119749339
4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride
CID 119303592
methyl (2R)-2-[cyclobutyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]propanoate
CID 124841521
3-amino-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)cyclopentane-1-carboxamide
CID 119749330
(2R)-2-amino-1-[(2S,5R)-4-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-5-(2-methylpropyl)-2-[3-(1,2,4-triazol-1-yl)propyl]piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 24810902
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 95625489
2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-pyridin-4-ylacetamide
CID 86941489

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 95625443) is N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide is C[C@@H](c1ccc2ccccc2c1)N(C(=O)CCCn1cncn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is UWZWANIHVITNGV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16(18-9-8-17-5-2-3-6-19(17)13-18)25(20-10-11-20)21(26)7-4-12-24-15-22-14-23-24/h2-3,5-6,8-9,13-16,20H,4,7,10-12H2,1H3/t16-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 348.45 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 95625443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).