3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide

C14H23N3O — CID 82989916

IUPAC3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
SMILESCCCC(C)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C14H23N3O/c1-5-6-10(2)16-13-8-7-11(9-12(13)15)14(18)17(3)4/h7-10,16H,5-6,15H2,1-4H3
InChIKeyBQRKAHUTLZUWMN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.57
Rot. Bonds5

About 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide

3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide (PubChem CID 82989916) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
PubChem CID82989916
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
SMILESCCCC(C)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C14H23N3O/c1-5-6-10(2)16-13-8-7-11(9-12(13)15)14(18)17(3)4/h7-10,16H,5-6,15H2,1-4H3
InChIKeyBQRKAHUTLZUWMN-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
CID 82992217
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
CID 82990775
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
CID 106022696
N,N-dimethyl-3-nitro-4-(pentan-2-ylamino)benzamide
CID 82990248
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
[3-amino-4-[[(2S)-pentan-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 100635678
3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide
CID 22181380
3-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N,N-dimethylbenzamide
CID 106155281
4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
CID 63358713
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide (CID 82989916) is 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide is CCCC(C)Nc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide?
The InChIKey is BQRKAHUTLZUWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-6-10(2)16-13-8-7-11(9-12(13)15)14(18)17(3)4/h7-10,16H,5-6,15H2,1-4H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide?
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide has a molecular weight of 249.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide is sourced from PubChem (CID 82989916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).