(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide

C15H24N2O3 — CID 111750584

IUPAC(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide
SMILESCOc1cccc(C(O)CN[C@H](C(N)=O)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(14(16)19)17-9-12(18)10-6-5-7-11(8-10)20-4/h5-8,12-13,17-18H,9H2,1-4H3,(H2,16,19)/t12?,13-/m1/s1
InChIKeyINEMNEWAOBSBPD-ZGTCLIOFSA-N
MW280.37 g/mol
LogP1.22
Rot. Bonds6

About (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide

(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide (PubChem CID 111750584) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide
PubChem CID111750584
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide
SMILESCOc1cccc(C(O)CN[C@H](C(N)=O)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(14(16)19)17-9-12(18)10-6-5-7-11(8-10)20-4/h5-8,12-13,17-18H,9H2,1-4H3,(H2,16,19)/t12?,13-/m1/s1
InChIKeyINEMNEWAOBSBPD-ZGTCLIOFSA-N
XLogP1.22
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide
CID 111750581
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
CID 107811332
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
[1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid
CID 69108132

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide (CID 111750584) is (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide is COc1cccc(C(O)CN[C@H](C(N)=O)C(C)(C)C)c1.
What is the InChIKey of (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide?
The InChIKey is INEMNEWAOBSBPD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)13(14(16)19)17-9-12(18)10-6-5-7-11(8-10)20-4/h5-8,12-13,17-18H,9H2,1-4H3,(H2,16,19)/t12?,13-/m1/s1.
What are the key properties of (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide?
(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide is sourced from PubChem (CID 111750584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).