N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide

C21H28N2O3 — CID 67699188

IUPACN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C[C@H](CN[C@H]1CCOC1O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O3/c1-14(2)11-18(13-22-19-9-10-26-21(19)25)23-20(24)17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19,21-22,25H,9-11,13H2,1-2H3,(H,23,24)/t18-,19+,21?/m1/s1
InChIKeyWDZUVMBFICOVQG-QSJYAPKHSA-N
MW356.47 g/mol
LogP2.68
Rot. Bonds7

About N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide

N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide (PubChem CID 67699188) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide
PubChem CID67699188
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C[C@H](CN[C@H]1CCOC1O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O3/c1-14(2)11-18(13-22-19-9-10-26-21(19)25)23-20(24)17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19,21-22,25H,9-11,13H2,1-2H3,(H,23,24)/t18-,19+,21?/m1/s1
InChIKeyWDZUVMBFICOVQG-QSJYAPKHSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide
CID 67697853
N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
CID 114300984
(2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate
CID 67698732
N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 54417217
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide
CID 67699186
N-[1-[[(3S,6Z)-3-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 173254226
4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 22444822
N-[(2R)-1-[[(2R)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenothiazine-2-carboxamide
CID 24782625
tridecyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate
CID 67576309
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide (CID 67699188) is N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide is CC(C)C[C@H](CN[C@H]1CCOC1O)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide?
The InChIKey is WDZUVMBFICOVQG-QSJYAPKHSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(2)11-18(13-22-19-9-10-26-21(19)25)23-20(24)17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19,21-22,25H,9-11,13H2,1-2H3,(H,23,24)/t18-,19+,21?/m1/s1.
What are the key properties of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide?
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 67699188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).