3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide

C20H24N4O3 — CID 99193425

IUPAC3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-4-20(2,3)24-18(26)13-8-10-15(11-9-13)22-17(25)14-6-5-7-16(12-14)23-19(21)27/h5-12H,4H2,1-3H3,(H,22,25)(H,24,26)(H3,21,23,27)
InChIKeyRBDLLXYJLCEVFU-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.35
Rot. Bonds6

About 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide

3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 99193425) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID99193425
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-4-20(2,3)24-18(26)13-8-10-15(11-9-13)22-17(25)14-6-5-7-16(12-14)23-19(21)27/h5-12H,4H2,1-3H3,(H,22,25)(H,24,26)(H3,21,23,27)
InChIKeyRBDLLXYJLCEVFU-UHFFFAOYSA-N
XLogP3.35
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119357561
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827
3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
CID 51144044
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
CID 78776448
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
4-(carbamoylamino)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115969000
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
3-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122076935

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide (CID 99193425) is 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is RBDLLXYJLCEVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-20(2,3)24-18(26)13-8-10-15(11-9-13)22-17(25)14-6-5-7-16(12-14)23-19(21)27/h5-12H,4H2,1-3H3,(H,22,25)(H,24,26)(H3,21,23,27).
What are the key properties of 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 99193425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).