N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride

C20H26ClN3O3 — CID 119703511

IUPACN-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCCNC(=O)C(C)C(N)c2ccccc2)c1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-14(18(21)15-7-4-3-5-8-15)19(24)22-11-12-23-20(25)16-9-6-10-17(13-16)26-2;/h3-10,13-14,18H,11-12,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyDFRRIAFZMDPHOT-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.30
Rot. Bonds8

About N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride

N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride (PubChem CID 119703511) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
PubChem CID119703511
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCCNC(=O)C(C)C(N)c2ccccc2)c1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-14(18(21)15-7-4-3-5-8-15)19(24)22-11-12-23-20(25)16-9-6-10-17(13-16)26-2;/h3-10,13-14,18H,11-12,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyDFRRIAFZMDPHOT-UHFFFAOYSA-N
XLogP2.30
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
CID 78846238
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703531
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119778880
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119705610
3-methoxy-N-[2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111342317
3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119733857
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride (CID 119703511) is N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride is COc1cccc(C(=O)NCCNC(=O)C(C)C(N)c2ccccc2)c1.Cl.
What is the InChIKey of N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride?
The InChIKey is DFRRIAFZMDPHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.ClH/c1-14(18(21)15-7-4-3-5-8-15)19(24)22-11-12-23-20(25)16-9-6-10-17(13-16)26-2;/h3-10,13-14,18H,11-12,21H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride?
N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119703511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).