N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide

C24H31N3O2 — CID 55645122

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-27(5-2)16-18-6-8-20(9-7-18)23(28)25-17(3)19-12-14-22(15-13-19)26-24(29)21-10-11-21/h6-9,12-15,17,21H,4-5,10-11,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyGRJTUTZBJMNCQR-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.37
Rot. Bonds9

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide (PubChem CID 55645122) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide
PubChem CID55645122
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-27(5-2)16-18-6-8-20(9-7-18)23(28)25-17(3)19-12-14-22(15-13-19)26-24(29)21-10-11-21/h6-9,12-15,17,21H,4-5,10-11,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyGRJTUTZBJMNCQR-UHFFFAOYSA-N
XLogP4.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
CID 46468865
4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
CID 46468399
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 120506326
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 134021153
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide (CID 55645122) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide is CCN(CC)Cc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide?
The InChIKey is GRJTUTZBJMNCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-27(5-2)16-18-6-8-20(9-7-18)23(28)25-17(3)19-12-14-22(15-13-19)26-24(29)21-10-11-21/h6-9,12-15,17,21H,4-5,10-11,16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide has a molecular weight of 393.53 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide is sourced from PubChem (CID 55645122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).