N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide

C22H28N2O3 — CID 6724785

IUPACN-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESCCCN(CCC)C(=O)[C@H](CO)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-14-24(15-4-2)22(27)20(16-25)23-21(26)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,20,25H,3-4,14-16H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyBSSAJWISFMXGEL-FQEVSTJZSA-N
MW368.48 g/mol
LogP3.09
Rot. Bonds9

About N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide

N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide (PubChem CID 6724785) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
PubChem CID6724785
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESCCCN(CCC)C(=O)[C@H](CO)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-14-24(15-4-2)22(27)20(16-25)23-21(26)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,20,25H,3-4,14-16H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyBSSAJWISFMXGEL-FQEVSTJZSA-N
XLogP3.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 6723560
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
CID 11574190
2-[2-benzamidopropanoyl(propyl)amino]acetic acid
CID 61012746
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724746
4-ethylsulfanyl-2-[(4-phenylbenzoyl)amino]butanoic acid
CID 108766780
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
(4S)-2-benzamido-4-(dipropylamino)pentanedioic acid
CID 54225127
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
(4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid
CID 3037347

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide (CID 6724785) is N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide is CCCN(CCC)C(=O)[C@H](CO)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide?
The InChIKey is BSSAJWISFMXGEL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-14-24(15-4-2)22(27)20(16-25)23-21(26)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,20,25H,3-4,14-16H2,1-2H3,(H,23,26)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide?
N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 6724785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).