N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide

C22H28N2O4 — CID 67699186

IUPACN-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide
SMILESCC(C)CC(NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]1CCOC1O
InChIInChI=1S/C22H28N2O4/c1-14(2)12-19(21(26)24-18-10-11-28-22(18)27)23-20(25)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18-19,22,27H,10-13H2,1-2H3,(H,23,25)(H,24,26)/t18-,19?,22?/m0/s1
InChIKeyMBCVCBOZYOQVMP-PGFLUOATSA-N
MW384.48 g/mol
LogP2.14
Rot. Bonds7

About N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide

N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide (PubChem CID 67699186) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide.

Molecular Properties

Compound NameN-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide
PubChem CID67699186
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide
SMILESCC(C)CC(NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]1CCOC1O
InChIInChI=1S/C22H28N2O4/c1-14(2)12-19(21(26)24-18-10-11-28-22(18)27)23-20(25)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18-19,22,27H,10-13H2,1-2H3,(H,23,25)(H,24,26)/t18-,19?,22?/m0/s1
InChIKeyMBCVCBOZYOQVMP-PGFLUOATSA-N
XLogP2.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-hydroxyoxolan-3-yl)-4-methyl-2-(phenylcarbamothioylamino)pentanamide
CID 23062313
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
(2S)-N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methyl-2-[3-(10H-phenothiazin-2-yl)propanoylamino]pentanamide
CID 11421890
(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724215
N-[1-[[(2S,3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-(4-methylanilino)benzamide
CID 46892761
N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide
CID 114300915
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide
CID 67699188
(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide
CID 139726517
cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 22444801

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide?
The IUPAC name of N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide (CID 67699186) is N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide.
What is the SMILES notation for N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide?
The canonical SMILES for N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide is CC(C)CC(NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]1CCOC1O.
What is the InChIKey of N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide?
The InChIKey is MBCVCBOZYOQVMP-PGFLUOATSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)12-19(21(26)24-18-10-11-28-22(18)27)23-20(25)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18-19,22,27H,10-13H2,1-2H3,(H,23,25)(H,24,26)/t18-,19?,22?/m0/s1.
What are the key properties of N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide?
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide has a molecular weight of 384.48 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide is sourced from PubChem (CID 67699186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).