N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide

C24H34N2O3 — CID 67905497

IUPACN-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide
SMILESCCCCNC(=O)c1ccc(CC[C@@H](C)NCC(O)COc2ccccc2)cc1
InChIInChI=1S/C24H34N2O3/c1-3-4-16-25-24(28)21-14-12-20(13-15-21)11-10-19(2)26-17-22(27)18-29-23-8-6-5-7-9-23/h5-9,12-15,19,22,26-27H,3-4,10-11,16-18H2,1-2H3,(H,25,28)/t19-,22?/m1/s1
InChIKeyUZMMXXWJWVSABK-LCQOSCCDSA-N
MW398.55 g/mol
LogP3.57
Rot. Bonds13

About N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide

N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide (PubChem CID 67905497) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide
PubChem CID67905497
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide
SMILESCCCCNC(=O)c1ccc(CC[C@@H](C)NCC(O)COc2ccccc2)cc1
InChIInChI=1S/C24H34N2O3/c1-3-4-16-25-24(28)21-14-12-20(13-15-21)11-10-19(2)26-17-22(27)18-29-23-8-6-5-7-9-23/h5-9,12-15,19,22,26-27H,3-4,10-11,16-18H2,1-2H3,(H,25,28)/t19-,22?/m1/s1
InChIKeyUZMMXXWJWVSABK-LCQOSCCDSA-N
XLogP3.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide
CID 14853054
4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid
CID 54335726
4-[(3R)-3-[[(2S)-2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]butyl]benzamide
CID 70495016
N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide
CID 23127035
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
4-[(3R)-3-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]butyl]benzamide;hydrochloride
CID 70496169
1-(3,5-dimethylphenoxy)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 158624002
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 62200405
methyl 2-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]benzoate
CID 15572779
2-[5-[(3S)-3-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]butyl]thiophen-2-yl]acetaldehyde
CID 88707223

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide?
The IUPAC name of N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide (CID 67905497) is N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide.
What is the SMILES notation for N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide?
The canonical SMILES for N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide is CCCCNC(=O)c1ccc(CC[C@@H](C)NCC(O)COc2ccccc2)cc1.
What is the InChIKey of N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide?
The InChIKey is UZMMXXWJWVSABK-LCQOSCCDSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-3-4-16-25-24(28)21-14-12-20(13-15-21)11-10-19(2)26-17-22(27)18-29-23-8-6-5-7-9-23/h5-9,12-15,19,22,26-27H,3-4,10-11,16-18H2,1-2H3,(H,25,28)/t19-,22?/m1/s1.
What are the key properties of N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide?
N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide has a molecular weight of 398.55 g/mol, XLogP of 3.57, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide is sourced from PubChem (CID 67905497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).