N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide

C20H25NO4 — CID 126425192

IUPACN-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide
SMILESCCC[C@@H](O)c1ccc(-c2ccc(C(=O)NC(CO)CO)cc2)cc1
InChIInChI=1S/C20H25NO4/c1-2-3-19(24)16-8-4-14(5-9-16)15-6-10-17(11-7-15)20(25)21-18(12-22)13-23/h4-11,18-19,22-24H,2-3,12-13H2,1H3,(H,21,25)/t19-/m1/s1
InChIKeyMKNLDPKNNBRJTB-LJQANCHMSA-N
MW343.42 g/mol
LogP2.27
Rot. Bonds8

About N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide

N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide (PubChem CID 126425192) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide
PubChem CID126425192
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide
SMILESCCC[C@@H](O)c1ccc(-c2ccc(C(=O)NC(CO)CO)cc2)cc1
InChIInChI=1S/C20H25NO4/c1-2-3-19(24)16-8-4-14(5-9-16)15-6-10-17(11-7-15)20(25)21-18(12-22)13-23/h4-11,18-19,22-24H,2-3,12-13H2,1H3,(H,21,25)/t19-/m1/s1
InChIKeyMKNLDPKNNBRJTB-LJQANCHMSA-N
XLogP2.27
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
ethyl 4-(1-hydroxybutyl)benzoate
CID 67981039
1-[4-(1-hydroxybutyl)phenyl]-3-methylbutan-1-one
CID 158955383
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
ethyl 3-[[4-[(1R)-1-hydroxybutyl]benzoyl]amino]prop-2-enoate
CID 86701431
4-amino-N-hexan-3-ylbenzamide
CID 62094734

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide (CID 126425192) is N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide is CCC[C@@H](O)c1ccc(-c2ccc(C(=O)NC(CO)CO)cc2)cc1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide?
The InChIKey is MKNLDPKNNBRJTB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO4/c1-2-3-19(24)16-8-4-14(5-9-16)15-6-10-17(11-7-15)20(25)21-18(12-22)13-23/h4-11,18-19,22-24H,2-3,12-13H2,1H3,(H,21,25)/t19-/m1/s1.
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide?
N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-4-[4-[(1R)-1-hydroxybutyl]phenyl]benzamide is sourced from PubChem (CID 126425192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).