N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide

C19H30N2O3 — CID 7064745

IUPACN-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1ccco1
InChIInChI=1S/C19H30N2O3/c1-4-14(3)17(19(23)20-12-16-6-5-11-24-16)21-18(22)15-9-7-13(2)8-10-15/h5-6,11,13-15,17H,4,7-10,12H2,1-3H3,(H,20,23)(H,21,22)/t13?,14-,15?,17+/m0/s1
InChIKeyKVBIMVBHMWYTLQ-KXJMLMMSSA-N
MW334.46 g/mol
LogP3.25
Rot. Bonds7

About N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 7064745) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID7064745
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1ccco1
InChIInChI=1S/C19H30N2O3/c1-4-14(3)17(19(23)20-12-16-6-5-11-24-16)21-18(22)15-9-7-13(2)8-10-15/h5-6,11,13-15,17H,4,7-10,12H2,1-3H3,(H,20,23)(H,21,22)/t13?,14-,15?,17+/m0/s1
InChIKeyKVBIMVBHMWYTLQ-KXJMLMMSSA-N
XLogP3.25
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide with MolForge

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Related Compounds

4-methyl-N-[3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]cyclohexane-1-carboxamide
CID 3239858
(3S)-N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52995163
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4904765
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]piperidine-3-carboxamide
CID 124773963
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide
CID 42703820
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide
CID 124651648
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
N-(furan-2-ylmethyl)-2-(hexan-3-ylamino)propanamide
CID 62119494
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 7064745) is N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide is CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1ccco1.
What is the InChIKey of N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is KVBIMVBHMWYTLQ-KXJMLMMSSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-14(3)17(19(23)20-12-16-6-5-11-24-16)21-18(22)15-9-7-13(2)8-10-15/h5-6,11,13-15,17H,4,7-10,12H2,1-3H3,(H,20,23)(H,21,22)/t13?,14-,15?,17+/m0/s1.
What are the key properties of N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 7064745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).