N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide

C19H24N2O2 — CID 95787778

IUPACN-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)NCC[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14(2)21-17-10-6-9-16(13-17)19(23)20-12-11-18(22)15-7-4-3-5-8-15/h3-10,13-14,18,21-22H,11-12H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyABRPROVZKNTSMD-GOSISDBHSA-N
MW312.41 g/mol
LogP3.36
Rot. Bonds7

About N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide

N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide (PubChem CID 95787778) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
PubChem CID95787778
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)NCC[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14(2)21-17-10-6-9-16(13-17)19(23)20-12-11-18(22)15-7-4-3-5-8-15/h3-10,13-14,18,21-22H,11-12H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyABRPROVZKNTSMD-GOSISDBHSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
N-[(2S)-1-[[(3S)-3-hydroxy-3-phenylpropyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 97007071
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111661954
N-(3-phenylbutyl)benzamide
CID 62403316
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
CID 111536692

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide (CID 95787778) is N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide is CC(C)Nc1cccc(C(=O)NCC[C@@H](O)c2ccccc2)c1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide?
The InChIKey is ABRPROVZKNTSMD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(2)21-17-10-6-9-16(13-17)19(23)20-12-11-18(22)15-7-4-3-5-8-15/h3-10,13-14,18,21-22H,11-12H2,1-2H3,(H,20,23)/t18-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide?
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide is sourced from PubChem (CID 95787778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).