N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide

C26H30N2O3 — CID 32959766

IUPACN-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C26H30N2O3/c1-5-18(2)24(27-25(29)20-9-7-6-8-10-20)26(30)28(3)17-19-11-12-22-16-23(31-4)14-13-21(22)15-19/h6-16,18,24H,5,17H2,1-4H3,(H,27,29)/t18-,24-/m1/s1
InChIKeyXIMWIRMKTIHZAE-HOYKHHGWSA-N
MW418.54 g/mol
LogP4.65
Rot. Bonds8

About N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 32959766) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID32959766
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C26H30N2O3/c1-5-18(2)24(27-25(29)20-9-7-6-8-10-20)26(30)28(3)17-19-11-12-22-16-23(31-4)14-13-21(22)15-19/h6-16,18,24H,5,17H2,1-4H3,(H,27,29)/t18-,24-/m1/s1
InChIKeyXIMWIRMKTIHZAE-HOYKHHGWSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 31240518
N-[(2S,3S)-3-methyl-1-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-1-oxopentan-2-yl]benzamide
CID 24544774
4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51155127
2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide
CID 18116972
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
N-[1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24682463
N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 125144559
N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51317181
4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 7997601
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 38011722
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55619064

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 32959766) is N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is XIMWIRMKTIHZAE-HOYKHHGWSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-5-18(2)24(27-25(29)20-9-7-6-8-10-20)26(30)28(3)17-19-11-12-22-16-23(31-4)14-13-21(22)15-19/h6-16,18,24H,5,17H2,1-4H3,(H,27,29)/t18-,24-/m1/s1.
What are the key properties of N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 32959766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).