(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide

C19H25NO3 — CID 96518313

IUPAC(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide
SMILESCCC[C@@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H25NO3/c1-3-7-15(2)12-19(22)20(14-17-9-6-11-23-17)13-16-8-4-5-10-18(16)21/h4-6,8-11,15,21H,3,7,12-14H2,1-2H3/t15-/m1/s1
InChIKeyXCRKXCHKIFLGPQ-OAHLLOKOSA-N
MW315.41 g/mol
LogP4.34
Rot. Bonds8

About (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide

(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide (PubChem CID 96518313) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide
PubChem CID96518313
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide
SMILESCCC[C@@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H25NO3/c1-3-7-15(2)12-19(22)20(14-17-9-6-11-23-17)13-16-8-4-5-10-18(16)21/h4-6,8-11,15,21H,3,7,12-14H2,1-2H3/t15-/m1/s1
InChIKeyXCRKXCHKIFLGPQ-OAHLLOKOSA-N
XLogP4.34
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
CID 75387529
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 134032585
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 78828421
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
ethyl 5-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 78798734
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134032583
2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39402827
2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide
CID 78820887

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide (CID 96518313) is (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide is CCC[C@@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide?
The InChIKey is XCRKXCHKIFLGPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-7-15(2)12-19(22)20(14-17-9-6-11-23-17)13-16-8-4-5-10-18(16)21/h4-6,8-11,15,21H,3,7,12-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide?
(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide has a molecular weight of 315.41 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide is sourced from PubChem (CID 96518313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).