N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide

C19H25N3O3 — CID 119643351

IUPACN-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccccc1N(C)C(=O)c1ccco1
InChIInChI=1S/C19H25N3O3/c1-4-19(20,5-2)13-21-17(23)14-9-6-7-10-15(14)22(3)18(24)16-11-8-12-25-16/h6-12H,4-5,13,20H2,1-3H3,(H,21,23)
InChIKeyUFAXWWRQKJTGNJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.80
Rot. Bonds7

About N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide

N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide (PubChem CID 119643351) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
PubChem CID119643351
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccccc1N(C)C(=O)c1ccco1
InChIInChI=1S/C19H25N3O3/c1-4-19(20,5-2)13-21-17(23)14-9-6-7-10-15(14)22(3)18(24)16-11-8-12-25-16/h6-12H,4-5,13,20H2,1-3H3,(H,21,23)
InChIKeyUFAXWWRQKJTGNJ-UHFFFAOYSA-N
XLogP2.80
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119250065
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808
N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 120653478
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 120947205
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119591706
N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119642471
N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
CID 119640864
N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119640929
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
N-(2-amino-2-ethylbutyl)-2-benzoylbenzamide;hydrochloride
CID 119639602
N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
CID 119428571
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
CID 120804617

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide (CID 119643351) is N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide is CCC(N)(CC)CNC(=O)c1ccccc1N(C)C(=O)c1ccco1.
What is the InChIKey of N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The InChIKey is UFAXWWRQKJTGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-19(20,5-2)13-21-17(23)14-9-6-7-10-15(14)22(3)18(24)16-11-8-12-25-16/h6-12H,4-5,13,20H2,1-3H3,(H,21,23).
What are the key properties of N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 119643351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).