N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide

C14H21N3O2 — CID 51080300

IUPACN-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
SMILESCNC(=O)c1cccc(NC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-9(2)10(3)16-14(19)17-12-7-5-6-11(8-12)13(18)15-4/h5-10H,1-4H3,(H,15,18)(H2,16,17,19)
InChIKeyRJFMMQHILYYODE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide

N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide (PubChem CID 51080300) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
PubChem CID51080300
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
SMILESCNC(=O)c1cccc(NC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-9(2)10(3)16-14(19)17-12-7-5-6-11(8-12)13(18)15-4/h5-10H,1-4H3,(H,15,18)(H2,16,17,19)
InChIKeyRJFMMQHILYYODE-UHFFFAOYSA-N
XLogP2.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 47325828
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
3-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methylbenzamide
CID 167238741
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide (CID 51080300) is N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide is CNC(=O)c1cccc(NC(=O)NC(C)C(C)C)c1.
What is the InChIKey of N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide?
The InChIKey is RJFMMQHILYYODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)10(3)16-14(19)17-12-7-5-6-11(8-12)13(18)15-4/h5-10H,1-4H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide?
N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 51080300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).