N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide

C20H26N4O2 — CID 47089076

IUPACN-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCCN(C)c1cccc(NC(=O)c2ccccc2NC(=O)NC(C)C)c1
InChIInChI=1S/C20H26N4O2/c1-5-24(4)16-10-8-9-15(13-16)22-19(25)17-11-6-7-12-18(17)23-20(26)21-14(2)3/h6-14H,5H2,1-4H3,(H,22,25)(H2,21,23,26)
InChIKeyPZEFUEBSWJYQGI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.92
Rot. Bonds6

About N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide

N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 47089076) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID47089076
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCCN(C)c1cccc(NC(=O)c2ccccc2NC(=O)NC(C)C)c1
InChIInChI=1S/C20H26N4O2/c1-5-24(4)16-10-8-9-15(13-16)22-19(25)17-11-6-7-12-18(17)23-20(26)21-14(2)3/h6-14H,5H2,1-4H3,(H,22,25)(H2,21,23,26)
InChIKeyPZEFUEBSWJYQGI-UHFFFAOYSA-N
XLogP3.92
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
CID 47089077
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide
CID 52714170
N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55972242
N-[3-(N-methylanilino)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 46551983
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide
CID 97099193
2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8914883
N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55929497
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide (CID 47089076) is N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide is CCN(C)c1cccc(NC(=O)c2ccccc2NC(=O)NC(C)C)c1.
What is the InChIKey of N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is PZEFUEBSWJYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-24(4)16-10-8-9-15(13-16)22-19(25)17-11-6-7-12-18(17)23-20(26)21-14(2)3/h6-14H,5H2,1-4H3,(H,22,25)(H2,21,23,26).
What are the key properties of N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide?
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 47089076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).