4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide

C18H21N3O2 — CID 35018877

IUPAC4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)14-7-9-16(10-8-14)21-17(22)15-5-3-13(4-6-15)11-20-18(19)23/h3-10,12H,11H2,1-2H3,(H,21,22)(H3,19,20,23)
InChIKeyVIADONMMNVLPTM-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.23
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide

4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 35018877) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
PubChem CID35018877
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)14-7-9-16(10-8-14)21-17(22)15-5-3-13(4-6-15)11-20-18(19)23/h3-10,12H,11H2,1-2H3,(H,21,22)(H3,19,20,23)
InChIKeyVIADONMMNVLPTM-UHFFFAOYSA-N
XLogP3.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 46560402
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
CID 29205734
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 78775923
N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9270671
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
4-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171719
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide (CID 35018877) is 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is VIADONMMNVLPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)14-7-9-16(10-8-14)21-17(22)15-5-3-13(4-6-15)11-20-18(19)23/h3-10,12H,11H2,1-2H3,(H,21,22)(H3,19,20,23).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide?
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 35018877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).