(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide

C21H34N2O2 — CID 99785131

IUPAC(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide
SMILESCC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)C1CCOCC1
InChIInChI=1S/C21H34N2O2/c1-16(2)20(15-23(4)14-18-8-6-5-7-9-18)22-21(24)17(3)19-10-12-25-13-11-19/h5-9,16-17,19-20H,10-15H2,1-4H3,(H,22,24)/t17-,20+/m0/s1
InChIKeyNOEVUFVRAKSKFR-FXAWDEMLSA-N
MW346.51 g/mol
LogP3.32
Rot. Bonds8

About (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide

(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide (PubChem CID 99785131) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide
PubChem CID99785131
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide
SMILESCC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)C1CCOCC1
InChIInChI=1S/C21H34N2O2/c1-16(2)20(15-23(4)14-18-8-6-5-7-9-18)22-21(24)17(3)19-10-12-25-13-11-19/h5-9,16-17,19-20H,10-15H2,1-4H3,(H,22,24)/t17-,20+/m0/s1
InChIKeyNOEVUFVRAKSKFR-FXAWDEMLSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 130847733
1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 111613392
(2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 99785103
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
(3aS,6aR)-2-[[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010355
3-[benzyl(methyl)amino]-2-(7-oxaspiro[3.5]nonane-3-carbonylamino)propanoic acid
CID 166317526
2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
CID 120782923
(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide
CID 124777171
(2S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide
CID 97243784
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120800060
3-(3,5-dichlorophenyl)-2-[2-(oxan-4-yl)propanoylamino]propanoic acid
CID 120688817

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide?
The IUPAC name of (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide (CID 99785131) is (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide is CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)C1CCOCC1.
What is the InChIKey of (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide?
The InChIKey is NOEVUFVRAKSKFR-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-16(2)20(15-23(4)14-18-8-6-5-7-9-18)22-21(24)17(3)19-10-12-25-13-11-19/h5-9,16-17,19-20H,10-15H2,1-4H3,(H,22,24)/t17-,20+/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide?
(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide has a molecular weight of 346.51 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 99785131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).