(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide

C14H21ClN2O2 — CID 111750581

IUPAC(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NCC(O)c1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)12(13(16)19)17-8-11(18)9-5-4-6-10(15)7-9/h4-7,11-12,17-18H,8H2,1-3H3,(H2,16,19)/t11?,12-/m1/s1
InChIKeyCAEBWGPCHCUGCN-PIJUOVFKSA-N
MW284.79 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide

(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide (PubChem CID 111750581) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide
PubChem CID111750581
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NCC(O)c1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)12(13(16)19)17-8-11(18)9-5-4-6-10(15)7-9/h4-7,11-12,17-18H,8H2,1-3H3,(H2,16,19)/t11?,12-/m1/s1
InChIKeyCAEBWGPCHCUGCN-PIJUOVFKSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide
CID 111750584
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119127733
2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 52904788
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
2-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119287112
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
CID 119719419
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119719418
(E)-3-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]prop-2-enamide
CID 88735044
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]-3,3-dimethylbutanamide
CID 99825957

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide (CID 111750581) is (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide is CC(C)(C)[C@H](NCC(O)c1cccc(Cl)c1)C(N)=O.
What is the InChIKey of (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide?
The InChIKey is CAEBWGPCHCUGCN-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)12(13(16)19)17-8-11(18)9-5-4-6-10(15)7-9/h4-7,11-12,17-18H,8H2,1-3H3,(H2,16,19)/t11?,12-/m1/s1.
What are the key properties of (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide?
(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide has a molecular weight of 284.79 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide is sourced from PubChem (CID 111750581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).