N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide

C19H29N3O3 — CID 119600142

IUPACN-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C19H29N3O3/c1-13(2)11-19(3,12-20)22-17(23)14-6-4-7-15(10-14)21-18(24)16-8-5-9-25-16/h4,6-7,10,13,16H,5,8-9,11-12,20H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyDMMFPBVVFUEBRB-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.30
Rot. Bonds7

About N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 119600142) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID119600142
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C19H29N3O3/c1-13(2)11-19(3,12-20)22-17(23)14-6-4-7-15(10-14)21-18(24)16-8-5-9-25-16/h4,6-7,10,13,16H,5,8-9,11-12,20H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyDMMFPBVVFUEBRB-UHFFFAOYSA-N
XLogP2.30
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119527172
N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119478775
N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46442303

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 119600142) is N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide is CC(C)CC(C)(CN)NC(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is DMMFPBVVFUEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)11-19(3,12-20)22-17(23)14-6-4-7-15(10-14)21-18(24)16-8-5-9-25-16/h4,6-7,10,13,16H,5,8-9,11-12,20H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 119600142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).