2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide

C22H29N3O4 — CID 167927706

IUPAC2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide
SMILESCCc1ccc(N)c(C(=O)N(C)CC(O)CN(C)C(=O)c2cccc(CO)c2)c1
InChIInChI=1S/C22H29N3O4/c1-4-15-8-9-20(23)19(11-15)22(29)25(3)13-18(27)12-24(2)21(28)17-7-5-6-16(10-17)14-26/h5-11,18,26-27H,4,12-14,23H2,1-3H3
InChIKeyAJHNDMALUHBIMM-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.53
Rot. Bonds8

About 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide

2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide (PubChem CID 167927706) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide
PubChem CID167927706
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide
SMILESCCc1ccc(N)c(C(=O)N(C)CC(O)CN(C)C(=O)c2cccc(CO)c2)c1
InChIInChI=1S/C22H29N3O4/c1-4-15-8-9-20(23)19(11-15)22(29)25(3)13-18(27)12-24(2)21(28)17-7-5-6-16(10-17)14-26/h5-11,18,26-27H,4,12-14,23H2,1-3H3
InChIKeyAJHNDMALUHBIMM-UHFFFAOYSA-N
XLogP1.53
TPSA107.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,3-diethyl-N-methylbenzamide
CID 89250993
2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
CID 21460946
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
CID 125143767
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82110320
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide?
The IUPAC name of 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide (CID 167927706) is 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide.
What is the SMILES notation for 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide?
The canonical SMILES for 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide is CCc1ccc(N)c(C(=O)N(C)CC(O)CN(C)C(=O)c2cccc(CO)c2)c1.
What is the InChIKey of 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide?
The InChIKey is AJHNDMALUHBIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-4-15-8-9-20(23)19(11-15)22(29)25(3)13-18(27)12-24(2)21(28)17-7-5-6-16(10-17)14-26/h5-11,18,26-27H,4,12-14,23H2,1-3H3.
What are the key properties of 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide?
2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide has a molecular weight of 399.49 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-N-[2-hydroxy-3-[[3-(hydroxymethyl)benzoyl]-methylamino]propyl]-N-methylbenzamide is sourced from PubChem (CID 167927706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).