5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride

C16H26ClN3O3 — CID 120592024

IUPAC5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-10(2)18-16(21)14-7-12(6-5-11(14)3)19-15(20)8-13(9-17)22-4;/h5-7,10,13H,8-9,17H2,1-4H3,(H,18,21)(H,19,20);1H
InChIKeyMMMVUDPRCMUFTN-UHFFFAOYSA-N
MW343.86 g/mol
LogP1.86
Rot. Bonds7

About 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride

5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 120592024) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
PubChem CID120592024
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC Name5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-10(2)18-16(21)14-7-12(6-5-11(14)3)19-15(20)8-13(9-17)22-4;/h5-7,10,13H,8-9,17H2,1-4H3,(H,18,21)(H,19,20);1H
InChIKeyMMMVUDPRCMUFTN-UHFFFAOYSA-N
XLogP1.86
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
CID 120591731
5-[[2-(dimethylamino)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 86805194
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride
CID 120586674
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120596003
5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119321729
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide
CID 120593058
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
CID 120590141

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride (CID 120592024) is 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1.Cl.
What is the InChIKey of 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is MMMVUDPRCMUFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c1-10(2)18-16(21)14-7-12(6-5-11(14)3)19-15(20)8-13(9-17)22-4;/h5-7,10,13H,8-9,17H2,1-4H3,(H,18,21)(H,19,20);1H.
What are the key properties of 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 120592024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).