N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide

C18H26N6O3 — CID 97433614

IUPACN-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide
SMILESCOCCCn1cnnc1[C@@H](C)NC(=O)Nc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C18H26N6O3/c1-12-6-7-15(21-14(3)25)10-16(12)22-18(26)20-13(2)17-23-19-11-24(17)8-5-9-27-4/h6-7,10-11,13H,5,8-9H2,1-4H3,(H,21,25)(H2,20,22,26)/t13-/m1/s1
InChIKeyHVKKDDPUODRRGT-CYBMUJFWSA-N
MW374.45 g/mol
LogP2.46
Rot. Bonds8

About N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide

N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide (PubChem CID 97433614) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide
PubChem CID97433614
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide
SMILESCOCCCn1cnnc1[C@@H](C)NC(=O)Nc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C18H26N6O3/c1-12-6-7-15(21-14(3)25)10-16(12)22-18(26)20-13(2)17-23-19-11-24(17)8-5-9-27-4/h6-7,10-11,13H,5,8-9H2,1-4H3,(H,21,25)(H2,20,22,26)/t13-/m1/s1
InChIKeyHVKKDDPUODRRGT-CYBMUJFWSA-N
XLogP2.46
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]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

1-(2,3-dimethylquinoxalin-6-yl)-3-[(1S)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]urea
CID 97444438
1-(3-chloro-2-fluorophenyl)-3-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]urea
CID 72899413
1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea
CID 72931004
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
N-[(1S)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 97454387
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]thiomorpholine-4-carboxamide
CID 122562432
1-cyclopropyl-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172665681
3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 77086569
4,4-difluoro-N-[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]piperidine-1-carboxamide
CID 125436477
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 125165323
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122565794

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide (CID 97433614) is N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide is COCCCn1cnnc1[C@@H](C)NC(=O)Nc1cc(NC(C)=O)ccc1C.
What is the InChIKey of N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide?
The InChIKey is HVKKDDPUODRRGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-12-6-7-15(21-14(3)25)10-16(12)22-18(26)20-13(2)17-23-19-11-24(17)8-5-9-27-4/h6-7,10-11,13H,5,8-9H2,1-4H3,(H,21,25)(H2,20,22,26)/t13-/m1/s1.
What are the key properties of N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide?
N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 97433614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).