4-(propan-2-ylcarbamoylamino)benzamide

C11H15N3O2 — CID 47027880

IUPAC4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c1-7(2)13-11(16)14-9-5-3-8(4-6-9)10(12)15/h3-7H,1-2H3,(H2,12,15)(H2,13,14,16)
InChIKeyFAVCDCJYNRVPAZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.32
Rot. Bonds3

About 4-(propan-2-ylcarbamoylamino)benzamide

4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 47027880) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID47027880
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c1-7(2)13-11(16)14-9-5-3-8(4-6-9)10(12)15/h3-7H,1-2H3,(H2,12,15)(H2,13,14,16)
InChIKeyFAVCDCJYNRVPAZ-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70407448
2-[(4-carbamoylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61185994
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
methyl (1Z)-N-amino-4-(propan-2-ylcarbamoylamino)benzenecarboximidothioate
CID 146539008
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
(2S)-2-[(4-carbamoylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61185112
3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide
CID 55830520
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of 4-(propan-2-ylcarbamoylamino)benzamide (CID 47027880) is 4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for 4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for 4-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is FAVCDCJYNRVPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(2)13-11(16)14-9-5-3-8(4-6-9)10(12)15/h3-7H,1-2H3,(H2,12,15)(H2,13,14,16).
What are the key properties of 4-(propan-2-ylcarbamoylamino)benzamide?
4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 221.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 47027880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).