N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide

C16H25N3O2 — CID 60683064

IUPACN-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CNC(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)9-18-16(21)13-7-5-6-8-14(13)19-15(20)10-17-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyDRKLZYWROSWMOC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.01
Rot. Bonds7

About N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide

N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide (PubChem CID 60683064) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
PubChem CID60683064
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CNC(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)9-18-16(21)13-7-5-6-8-14(13)19-15(20)10-17-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyDRKLZYWROSWMOC-UHFFFAOYSA-N
XLogP2.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 112808084
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide (CID 60683064) is N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CNC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The InChIKey is DRKLZYWROSWMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)9-18-16(21)13-7-5-6-8-14(13)19-15(20)10-17-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide is sourced from PubChem (CID 60683064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).