3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide

C17H29N3O — CID 82992945

IUPAC3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide
SMILESCCCCN(c1ccc(C(=O)N(C)C)cc1N)C(C)CC
InChIInChI=1S/C17H29N3O/c1-6-8-11-20(13(3)7-2)16-10-9-14(12-15(16)18)17(21)19(4)5/h9-10,12-13H,6-8,11,18H2,1-5H3
InChIKeyXNCUPVLBPKYWNT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.38
Rot. Bonds7

About 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide

3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide (PubChem CID 82992945) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide
PubChem CID82992945
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide
SMILESCCCCN(c1ccc(C(=O)N(C)C)cc1N)C(C)CC
InChIInChI=1S/C17H29N3O/c1-6-8-11-20(13(3)7-2)16-10-9-14(12-15(16)18)17(21)19(4)5/h9-10,12-13H,6-8,11,18H2,1-5H3
InChIKeyXNCUPVLBPKYWNT-UHFFFAOYSA-N
XLogP3.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N,N-dimethyl-4-(octan-4-ylamino)benzamide
CID 106022696
ethyl 2-amino-5-[butan-2-yl(butyl)amino]benzoate
CID 63423618
3-amino-4-(dibutylamino)benzamide
CID 43448369
3-amino-4-(dibutylamino)benzoic acid
CID 22096622
2-bromo-1-N-butan-2-yl-1-N-butylbenzene-1,4-diamine
CID 63406245
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
CID 82992217
4-[butan-2-yl(butyl)amino]-3-fluorobenzenecarbothioamide
CID 63519781
3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide
CID 82992948
3-amino-4-[2-cyanoethyl(methyl)amino]-N,N-dimethylbenzamide
CID 82990189
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide (CID 82992945) is 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide is CCCCN(c1ccc(C(=O)N(C)C)cc1N)C(C)CC.
What is the InChIKey of 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide?
The InChIKey is XNCUPVLBPKYWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-8-11-20(13(3)7-2)16-10-9-14(12-15(16)18)17(21)19(4)5/h9-10,12-13H,6-8,11,18H2,1-5H3.
What are the key properties of 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide?
3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide has a molecular weight of 291.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 82992945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).