N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

C17H21N3O3 — CID 119625719

IUPACN-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)N)cc1NC(=O)c1ccco1
InChIInChI=1S/C17H21N3O3/c1-11-6-7-12(15(21)19-10-17(2,3)18)9-13(11)20-16(22)14-5-4-8-23-14/h4-9H,10,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyDSKMIZVCNGLYOC-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.31
Rot. Bonds5

About N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 119625719) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID119625719
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)N)cc1NC(=O)c1ccco1
InChIInChI=1S/C17H21N3O3/c1-11-6-7-12(15(21)19-10-17(2,3)18)9-13(11)20-16(22)14-5-4-8-23-14/h4-9H,10,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyDSKMIZVCNGLYOC-UHFFFAOYSA-N
XLogP2.31
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 56522910
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119597416
N-[5-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119572236
N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55782529
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 119625719) is N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NCC(C)(C)N)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is DSKMIZVCNGLYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-6-7-12(15(21)19-10-17(2,3)18)9-13(11)20-16(22)14-5-4-8-23-14/h4-9H,10,18H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 119625719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).