3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide

C15H26N4O — CID 82992217

IUPAC3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
SMILESCC(CCN(C)C)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C15H26N4O/c1-11(8-9-18(2)3)17-14-7-6-12(10-13(14)16)15(20)19(4)5/h6-7,10-11,17H,8-9,16H2,1-5H3
InChIKeyHBAGBBZZOPQRAP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.72
Rot. Bonds6

About 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide

3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide (PubChem CID 82992217) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
PubChem CID82992217
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
SMILESCC(CCN(C)C)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C15H26N4O/c1-11(8-9-18(2)3)17-14-7-6-12(10-13(14)16)15(20)19(4)5/h6-7,10-11,17H,8-9,16H2,1-5H3
InChIKeyHBAGBBZZOPQRAP-UHFFFAOYSA-N
XLogP1.72
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
CID 82990775
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide
CID 22181380
3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
CID 106022696
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
3-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N,N-dimethylbenzamide
CID 106155281
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
3-chloro-4-[4-(dimethylamino)butan-2-ylamino]benzoic acid
CID 63087477
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide
CID 82990216

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide (CID 82992217) is 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide is CC(CCN(C)C)Nc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide?
The InChIKey is HBAGBBZZOPQRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(8-9-18(2)3)17-14-7-6-12(10-13(14)16)15(20)19(4)5/h6-7,10-11,17H,8-9,16H2,1-5H3.
What are the key properties of 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide?
3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 82992217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).