N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide

C20H25N3O3 — CID 167924551

IUPACN-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide
SMILESCCN(C)C(C(=O)NCCNC(=O)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-3-23(2)18(15-7-5-4-6-8-15)20(26)22-14-13-21-19(25)16-9-11-17(24)12-10-16/h4-12,18,24H,3,13-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyMCIADAPPHAWMKA-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.93
Rot. Bonds8

About N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide

N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide (PubChem CID 167924551) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide
PubChem CID167924551
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide
SMILESCCN(C)C(C(=O)NCCNC(=O)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-3-23(2)18(15-7-5-4-6-8-15)20(26)22-14-13-21-19(25)16-9-11-17(24)12-10-16/h4-12,18,24H,3,13-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyMCIADAPPHAWMKA-UHFFFAOYSA-N
XLogP1.93
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 119384601
(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759
N-[(2R)-2-(ethylamino)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide;dihydrochloride
CID 120654368
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide
CID 91231735
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56510564
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
2-[ethyl(methyl)amino]-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 56521548
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide (CID 167924551) is N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide is CCN(C)C(C(=O)NCCNC(=O)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide?
The InChIKey is MCIADAPPHAWMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-23(2)18(15-7-5-4-6-8-15)20(26)22-14-13-21-19(25)16-9-11-17(24)12-10-16/h4-12,18,24H,3,13-14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide?
N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide has a molecular weight of 355.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 167924551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).