N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

C19H31N3O3 — CID 119654327

IUPACN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)N(C)CC(C)(C)CN)C(C)C)cc1
InChIInChI=1S/C19H31N3O3/c1-13(2)16(18(24)22(5)12-19(3,4)11-20)21-17(23)14-7-9-15(25-6)10-8-14/h7-10,13,16H,11-12,20H2,1-6H3,(H,21,23)
InChIKeyDEBHZNWHJLQMKQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.89
Rot. Bonds8

About N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (PubChem CID 119654327) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
PubChem CID119654327
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)N(C)CC(C)(C)CN)C(C)C)cc1
InChIInChI=1S/C19H31N3O3/c1-13(2)16(18(24)22(5)12-19(3,4)11-20)21-17(23)14-7-9-15(25-6)10-8-14/h7-10,13,16H,11-12,20H2,1-6H3,(H,21,23)
InChIKeyDEBHZNWHJLQMKQ-UHFFFAOYSA-N
XLogP1.89
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide with MolForge

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Related Compounds

4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51155127
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130
4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 7997601
methyl 4-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]oxymethyl]benzoate
CID 7568295
N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride
CID 119653460
(2-amino-2-oxoethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568293
3-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119233010
N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 125144559
N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 31240518
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethoxy)-N-methylbenzamide
CID 119654669
(4-acetylphenyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 9138538

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (CID 119654327) is N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C(=O)N(C)CC(C)(C)CN)C(C)C)cc1.
What is the InChIKey of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The InChIKey is DEBHZNWHJLQMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13(2)16(18(24)22(5)12-19(3,4)11-20)21-17(23)14-7-9-15(25-6)10-8-14/h7-10,13,16H,11-12,20H2,1-6H3,(H,21,23).
What are the key properties of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide has a molecular weight of 349.48 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 119654327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).