3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide

C19H22N4O3 — CID 87045343

IUPAC3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2ccc(NC(N)=O)cc2)ccc1C
InChIInChI=1S/C19H22N4O3/c1-11-4-5-15(10-17(11)22-13(3)24)18(25)21-12(2)14-6-8-16(9-7-14)23-19(20)26/h4-10,12H,1-3H3,(H,21,25)(H,22,24)(H3,20,23,26)
InChIKeyZGUYNWIZLDDHTN-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.94
Rot. Bonds5

About 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide

3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide (PubChem CID 87045343) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
PubChem CID87045343
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2ccc(NC(N)=O)cc2)ccc1C
InChIInChI=1S/C19H22N4O3/c1-11-4-5-15(10-17(11)22-13(3)24)18(25)21-12(2)14-6-8-16(9-7-14)23-19(20)26/h4-10,12H,1-3H3,(H,21,25)(H,22,24)(H3,20,23,26)
InChIKeyZGUYNWIZLDDHTN-UHFFFAOYSA-N
XLogP2.94
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 55702907
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide
CID 86998008
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide
CID 55632235

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide (CID 87045343) is 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide is CC(=O)Nc1cc(C(=O)NC(C)c2ccc(NC(N)=O)cc2)ccc1C.
What is the InChIKey of 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide?
The InChIKey is ZGUYNWIZLDDHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-4-5-15(10-17(11)22-13(3)24)18(25)21-12(2)14-6-8-16(9-7-14)23-19(20)26/h4-10,12H,1-3H3,(H,21,25)(H,22,24)(H3,20,23,26).
What are the key properties of 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide?
3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 87045343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).