N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide

C16H27N5O3 — CID 167778298

IUPACN-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(C)CNC(=O)C(O)C2CC2)nnn1C(C)C
InChIInChI=1S/C16H27N5O3/c1-9(2)21-10(3)12(19-20-21)14(23)18-16(4,5)8-17-15(24)13(22)11-6-7-11/h9,11,13,22H,6-8H2,1-5H3,(H,17,24)(H,18,23)
InChIKeyGQLNDKVNYAAAMQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.56
Rot. Bonds7

About N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide

N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide (PubChem CID 167778298) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
PubChem CID167778298
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC NameN-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(C)CNC(=O)C(O)C2CC2)nnn1C(C)C
InChIInChI=1S/C16H27N5O3/c1-9(2)21-10(3)12(19-20-21)14(23)18-16(4,5)8-17-15(24)13(22)11-6-7-11/h9,11,13,22H,6-8H2,1-5H3,(H,17,24)(H,18,23)
InChIKeyGQLNDKVNYAAAMQ-UHFFFAOYSA-N
XLogP0.56
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide with MolForge

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)-5-(difluoromethyl)-1H-1,2,3-triazole-4-carboxamide
CID 165595839
N-(3-ethyl-2-hydroxypentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 112351102
N-(3-ethyl-2-hydroxypentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 112351103
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 112351463
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 112351464
(2S)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360689
(2S)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 119362124
(2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 119364737
(2R)-2-[(1,5-dimethyltriazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 119369579
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119731691
5-methyl-N-[2-(3-methylbutoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119741267
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793056

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
The IUPAC name of N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide (CID 167778298) is N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide is Cc1c(C(=O)NC(C)(C)CNC(=O)C(O)C2CC2)nnn1C(C)C.
What is the InChIKey of N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
The InChIKey is GQLNDKVNYAAAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-9(2)21-10(3)12(19-20-21)14(23)18-16(4,5)8-17-15(24)13(22)11-6-7-11/h9,11,13,22H,6-8H2,1-5H3,(H,17,24)(H,18,23).
What are the key properties of N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 167778298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).