4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide

C16H26N2O3 — CID 129404987

IUPAC4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(OC[C@@H](O)CNC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-5-17-15(20)12-6-8-14(9-7-12)21-11-13(19)10-18-16(2,3)4/h6-9,13,18-19H,5,10-11H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyJMTUYMZMLAZRLI-ZDUSSCGKSA-N
MW294.40 g/mol
LogP1.56
Rot. Bonds7

About 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide

4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide (PubChem CID 129404987) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide
PubChem CID129404987
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(OC[C@@H](O)CNC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-5-17-15(20)12-6-8-14(9-7-12)21-11-13(19)10-18-16(2,3)4/h6-9,13,18-19H,5,10-11H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyJMTUYMZMLAZRLI-ZDUSSCGKSA-N
XLogP1.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-butyl-3-[4-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea
CID 129396086
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile
CID 93381232
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
1-[4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-hexylurea
CID 129396089
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]ethyl nitrate
CID 12848700
1-[4-[2-hydroxy-3-(2,4,4-trimethylpentan-2-ylamino)propoxy]phenyl]ethanone
CID 3417444

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide?
The IUPAC name of 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide (CID 129404987) is 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide.
What is the SMILES notation for 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide?
The canonical SMILES for 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide is CCNC(=O)c1ccc(OC[C@@H](O)CNC(C)(C)C)cc1.
What is the InChIKey of 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide?
The InChIKey is JMTUYMZMLAZRLI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-17-15(20)12-6-8-14(9-7-12)21-11-13(19)10-18-16(2,3)4/h6-9,13,18-19H,5,10-11H2,1-4H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide?
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide has a molecular weight of 294.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide is sourced from PubChem (CID 129404987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).