(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide

C14H22N2O3 — CID 142496432

IUPAC(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(CNC(=O)[C@@H](N)C(C)(C)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,9-17)12(15)13(18)16-8-10-4-6-11(19-3)7-5-10/h4-7,12,17H,8-9,15H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyQMSPCACCMSHKBZ-GFCCVEGCSA-N
MW266.34 g/mol
LogP0.66
Rot. Bonds6

About (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide

(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 142496432) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
PubChem CID142496432
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(CNC(=O)[C@@H](N)C(C)(C)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,9-17)12(15)13(18)16-8-10-4-6-11(19-3)7-5-10/h4-7,12,17H,8-9,15H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyQMSPCACCMSHKBZ-GFCCVEGCSA-N
XLogP0.66
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 25170715
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
methyl 4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 61274721
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2S)-2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119718278
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide
CID 119725363
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 66750831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide (CID 142496432) is (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide is COc1ccc(CNC(=O)[C@@H](N)C(C)(C)CO)cc1.
What is the InChIKey of (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is QMSPCACCMSHKBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,9-17)12(15)13(18)16-8-10-4-6-11(19-3)7-5-10/h4-7,12,17H,8-9,15H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide?
(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 142496432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).