4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide

C14H23N3O — CID 113471567

IUPAC4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
SMILESCCCC(C)(C)Nc1cc(C(=O)NC)ccc1N
InChIInChI=1S/C14H23N3O/c1-5-8-14(2,3)17-12-9-10(13(18)16-4)6-7-11(12)15/h6-7,9,17H,5,8,15H2,1-4H3,(H,16,18)
InChIKeyCESMKZMPJWDRBD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.62
Rot. Bonds5

About 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide

4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide (PubChem CID 113471567) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
PubChem CID113471567
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
SMILESCCCC(C)(C)Nc1cc(C(=O)NC)ccc1N
InChIInChI=1S/C14H23N3O/c1-5-8-14(2,3)17-12-9-10(13(18)16-4)6-7-11(12)15/h6-7,9,17H,5,8,15H2,1-4H3,(H,16,18)
InChIKeyCESMKZMPJWDRBD-UHFFFAOYSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(2-methylpentan-2-ylamino)-3-nitrobenzamide
CID 115624698
4-amino-3-(2-methylbutan-2-ylamino)benzoic acid
CID 82791345
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
3-amino-4-[(1-methoxy-2-methylpropan-2-yl)amino]-N-methylbenzamide
CID 113470227
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150888
4-amino-3-(1-hydroxybutan-2-ylamino)-N-methylbenzamide
CID 63357122
4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
CID 63357348
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide
CID 106426373
3-amino-4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-N-methylbenzamide
CID 82999869

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide (CID 113471567) is 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide is CCCC(C)(C)Nc1cc(C(=O)NC)ccc1N.
What is the InChIKey of 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide?
The InChIKey is CESMKZMPJWDRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-8-14(2,3)17-12-9-10(13(18)16-4)6-7-11(12)15/h6-7,9,17H,5,8,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide?
4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide has a molecular weight of 249.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide is sourced from PubChem (CID 113471567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).