N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide

C22H29N3O4 — CID 129207042

IUPACN-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide
SMILESCCO[C@H](CNC(=O)c1ccccc1N(C)C)[C@@H](O)CNC(=O)c1ccccc1
InChIInChI=1S/C22H29N3O4/c1-4-29-20(19(26)14-23-21(27)16-10-6-5-7-11-16)15-24-22(28)17-12-8-9-13-18(17)25(2)3/h5-13,19-20,26H,4,14-15H2,1-3H3,(H,23,27)(H,24,28)/t19-,20+/m0/s1
InChIKeyPIBAIFAWNVYAIS-VQTJNVASSA-N
MW399.49 g/mol
LogP1.68
Rot. Bonds10

About N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide

N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide (PubChem CID 129207042) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide
PubChem CID129207042
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide
SMILESCCO[C@H](CNC(=O)c1ccccc1N(C)C)[C@@H](O)CNC(=O)c1ccccc1
InChIInChI=1S/C22H29N3O4/c1-4-29-20(19(26)14-23-21(27)16-10-6-5-7-11-16)15-24-22(28)17-12-8-9-13-18(17)25(2)3/h5-13,19-20,26H,4,14-15H2,1-3H3,(H,23,27)(H,24,28)/t19-,20+/m0/s1
InChIKeyPIBAIFAWNVYAIS-VQTJNVASSA-N
XLogP1.68
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide
CID 129206716
N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]pyrimidine-5-carboxamide
CID 129207253
N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-3-methylimidazole-4-carboxamide
CID 129206725
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
2-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 110463514
N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide
CID 134466501
N-[2-(methylamino)propyl]-2-(N-methylanilino)benzamide
CID 120832793
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
CID 78909705
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
ethyl (3S)-2-(benzamidomethyl)-3-hydroxy-3-phenylpropanoate
CID 102585176
2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide?
The IUPAC name of N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide (CID 129207042) is N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide.
What is the SMILES notation for N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide?
The canonical SMILES for N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide is CCO[C@H](CNC(=O)c1ccccc1N(C)C)[C@@H](O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide?
The InChIKey is PIBAIFAWNVYAIS-VQTJNVASSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-4-29-20(19(26)14-23-21(27)16-10-6-5-7-11-16)15-24-22(28)17-12-8-9-13-18(17)25(2)3/h5-13,19-20,26H,4,14-15H2,1-3H3,(H,23,27)(H,24,28)/t19-,20+/m0/s1.
What are the key properties of N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide?
N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide has a molecular weight of 399.49 g/mol, XLogP of 1.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide is sourced from PubChem (CID 129207042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).