N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride

C21H28ClN3O3 — CID 119591706

IUPACN-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-24(21(26)19-12-7-13-27-19)18-11-6-5-10-16(18)20(25)23-17(14-22)15-8-3-2-4-9-15;/h5-7,10-13,15,17H,2-4,8-9,14,22H2,1H3,(H,23,25);1H
InChIKeyVLFNRGZMOUATKT-UHFFFAOYSA-N
MW405.93 g/mol
LogP3.62
Rot. Bonds6

About N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride

N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119591706) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID119591706
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC NameN-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-24(21(26)19-12-7-13-27-19)18-11-6-5-10-16(18)20(25)23-17(14-22)15-8-3-2-4-9-15;/h5-7,10-13,15,17H,2-4,8-9,14,22H2,1H3,(H,23,25);1H
InChIKeyVLFNRGZMOUATKT-UHFFFAOYSA-N
XLogP3.62
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119590926
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CID 119588952
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119589410
N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
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N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 120653478
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120602161
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
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N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119624931
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 119643351
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride (CID 119591706) is N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride is CN(C(=O)c1ccco1)c1ccccc1C(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is VLFNRGZMOUATKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.ClH/c1-24(21(26)19-12-7-13-27-19)18-11-6-5-10-16(18)20(25)23-17(14-22)15-8-3-2-4-9-15;/h5-7,10-13,15,17H,2-4,8-9,14,22H2,1H3,(H,23,25);1H.
What are the key properties of N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119591706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).