2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

C20H29N3O2 — CID 122153503

IUPAC2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(CCC1CC1)C(=O)c1cccc(C(=O)N(C)CCC2CC2)c1N
InChIInChI=1S/C20H29N3O2/c1-22(12-10-14-6-7-14)19(24)16-4-3-5-17(18(16)21)20(25)23(2)13-11-15-8-9-15/h3-5,14-15H,6-13,21H2,1-2H3
InChIKeyKIMUBTBEWZQCKA-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.01
Rot. Bonds8

About 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 122153503) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID122153503
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(CCC1CC1)C(=O)c1cccc(C(=O)N(C)CCC2CC2)c1N
InChIInChI=1S/C20H29N3O2/c1-22(12-10-14-6-7-14)19(24)16-4-3-5-17(18(16)21)20(25)23(2)13-11-15-8-9-15/h3-5,14-15H,6-13,21H2,1-2H3
InChIKeyKIMUBTBEWZQCKA-UHFFFAOYSA-N
XLogP3.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.01
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

2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63206760
2-amino-N-(cyclobutylmethyl)-N-methyl-3-nitrobenzamide
CID 112696757
N-(2-cyclopropylethyl)-N-methylacetamide
CID 130751028
2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 62661076
N-(2-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-N,3-dimethylbenzamide
CID 86878946
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
CID 115678607
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82829120
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide
CID 167836370

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 122153503) is 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is CN(CCC1CC1)C(=O)c1cccc(C(=O)N(C)CCC2CC2)c1N.
What is the InChIKey of 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is KIMUBTBEWZQCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22(12-10-14-6-7-14)19(24)16-4-3-5-17(18(16)21)20(25)23(2)13-11-15-8-9-15/h3-5,14-15H,6-13,21H2,1-2H3.
What are the key properties of 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 122153503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).