N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

C20H27N3O3 — CID 119597416

IUPACN-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H27N3O3/c1-13(2)11-20(4,12-21)23-18(24)15-8-7-14(3)16(10-15)22-19(25)17-6-5-9-26-17/h5-10,13H,11-12,21H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyZBNXYEYNADZCRY-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.33
Rot. Bonds7

About N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 119597416) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID119597416
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H27N3O3/c1-13(2)11-20(4,12-21)23-18(24)15-8-7-14(3)16(10-15)22-19(25)17-6-5-9-26-17/h5-10,13H,11-12,21H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyZBNXYEYNADZCRY-UHFFFAOYSA-N
XLogP3.33
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119572236
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 56522910
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
N-[5-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 112794246
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 119597416) is N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is ZBNXYEYNADZCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13(2)11-20(4,12-21)23-18(24)15-8-7-14(3)16(10-15)22-19(25)17-6-5-9-26-17/h5-10,13H,11-12,21H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 119597416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).