N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide

C26H35N3O2 — CID 56580229

IUPACN-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide
SMILESCCN(CC)C(C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C26H35N3O2/c1-4-29(5-2)24(20-12-8-6-9-13-20)25(30)27-22-18-16-21(17-19-22)26(31)28(3)23-14-10-7-11-15-23/h6,8-9,12-13,16-19,23-24H,4-5,7,10-11,14-15H2,1-3H3,(H,27,30)
InChIKeyKERVFGXTNAOWKC-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.11
Rot. Bonds8

About N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide

N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide (PubChem CID 56580229) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide
PubChem CID56580229
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide
SMILESCCN(CC)C(C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C26H35N3O2/c1-4-29(5-2)24(20-12-8-6-9-13-20)25(30)27-22-18-16-21(17-19-22)26(31)28(3)23-14-10-7-11-15-23/h6,8-9,12-13,16-19,23-24H,4-5,7,10-11,14-15H2,1-3H3,(H,27,30)
InChIKeyKERVFGXTNAOWKC-UHFFFAOYSA-N
XLogP5.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119950414
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
CID 119743435
2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 4847563
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide
CID 56540512
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408
N-[1-[4-[cyclohexyl(methyl)carbamoyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55978883
2-[ethyl(2-hydroxyethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 110881216
N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide
CID 17482993
4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 120589876
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
CID 55920389

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide (CID 56580229) is N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide is CCN(CC)C(C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide?
The InChIKey is KERVFGXTNAOWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-4-29(5-2)24(20-12-8-6-9-13-20)25(30)27-22-18-16-21(17-19-22)26(31)28(3)23-14-10-7-11-15-23/h6,8-9,12-13,16-19,23-24H,4-5,7,10-11,14-15H2,1-3H3,(H,27,30).
What are the key properties of N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide?
N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide has a molecular weight of 421.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 56580229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).