N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide

C19H28N4O3 — CID 134036644

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCOc1ccc(C(NC(=O)CCn2cncn2)C(C)C)cc1OCC
InChIInChI=1S/C19H28N4O3/c1-5-25-16-8-7-15(11-17(16)26-6-2)19(14(3)4)22-18(24)9-10-23-13-20-12-21-23/h7-8,11-14,19H,5-6,9-10H2,1-4H3,(H,22,24)
InChIKeyNUXFGECPEULSSR-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.98
Rot. Bonds10

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 134036644) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID134036644
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCOc1ccc(C(NC(=O)CCn2cncn2)C(C)C)cc1OCC
InChIInChI=1S/C19H28N4O3/c1-5-25-16-8-7-15(11-17(16)26-6-2)19(14(3)4)22-18(24)9-10-23-13-20-12-21-23/h7-8,11-14,19H,5-6,9-10H2,1-4H3,(H,22,24)
InChIKeyNUXFGECPEULSSR-UHFFFAOYSA-N
XLogP2.98
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94553818
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 51075123
3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 120608398
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43469556
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46649908
N-[1-(2,4-dichlorophenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24629761
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55491755
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55574790
3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide
CID 46649966
3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 51078073

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 134036644) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide is CCOc1ccc(C(NC(=O)CCn2cncn2)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NUXFGECPEULSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-5-25-16-8-7-15(11-17(16)26-6-2)19(14(3)4)22-18(24)9-10-23-13-20-12-21-23/h7-8,11-14,19H,5-6,9-10H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 360.46 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 134036644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).