N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide

C18H25N5O2 — CID 95289512

IUPACN-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESC[C@H](NC(=O)CNC(=O)Cn1cncn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25N5O2/c1-13(14-5-7-15(8-6-14)18(2,3)4)22-16(24)9-20-17(25)10-23-12-19-11-21-23/h5-8,11-13H,9-10H2,1-4H3,(H,20,25)(H,22,24)/t13-/m0/s1
InChIKeyNDDPATTYGBUFRV-ZDUSSCGKSA-N
MW343.43 g/mol
LogP1.57
Rot. Bonds6

About N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide

N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide (PubChem CID 95289512) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
PubChem CID95289512
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESC[C@H](NC(=O)CNC(=O)Cn1cncn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25N5O2/c1-13(14-5-7-15(8-6-14)18(2,3)4)22-16(24)9-20-17(25)10-23-12-19-11-21-23/h5-8,11-13H,9-10H2,1-4H3,(H,20,25)(H,22,24)/t13-/m0/s1
InChIKeyNDDPATTYGBUFRV-ZDUSSCGKSA-N
XLogP1.57
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide with MolForge

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Related Compounds

3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 51078073
3-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]butanoic acid
CID 104501823
1-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470667
N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 107300236
2-phenyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid
CID 62488531
N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
CID 79198933
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115663692
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 51075123
N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide
CID 81257953
N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104593785
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide (CID 95289512) is N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide is C[C@H](NC(=O)CNC(=O)Cn1cncn1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The InChIKey is NDDPATTYGBUFRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(14-5-7-15(8-6-14)18(2,3)4)22-16(24)9-20-17(25)10-23-12-19-11-21-23/h5-8,11-13H,9-10H2,1-4H3,(H,20,25)(H,22,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 95289512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).