N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide

C18H29N3O4 — CID 119630528

IUPACN-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)NCC(C)(C)N)cc1OC
InChIInChI=1S/C18H29N3O4/c1-17(2,3)16(23)21-12-9-14(25-7)13(24-6)8-11(12)15(22)20-10-18(4,5)19/h8-9H,10,19H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyCAIHAQCEHYFQNS-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.16
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide

N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide (PubChem CID 119630528) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
PubChem CID119630528
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC NameN-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)NCC(C)(C)N)cc1OC
InChIInChI=1S/C18H29N3O4/c1-17(2,3)16(23)21-12-9-14(25-7)13(24-6)8-11(12)15(22)20-10-18(4,5)19/h8-9H,10,19H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyCAIHAQCEHYFQNS-UHFFFAOYSA-N
XLogP2.16
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride
CID 119629327
(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid
CID 119943103
N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119605106
2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]-methylamino]propanoic acid
CID 119358791
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
CID 141326742
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454167
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
N-[5-(hydrazinecarbonyl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 15509074
[4-(phenylcarbamoyl)phenyl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577349
methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate
CID 19849627

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide (CID 119630528) is N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide is COc1cc(NC(=O)C(C)(C)C)c(C(=O)NCC(C)(C)N)cc1OC.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide?
The InChIKey is CAIHAQCEHYFQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-17(2,3)16(23)21-12-9-14(25-7)13(24-6)8-11(12)15(22)20-10-18(4,5)19/h8-9H,10,19H2,1-7H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide?
N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide has a molecular weight of 351.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide is sourced from PubChem (CID 119630528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).