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

C16H26ClN3O3 — CID 119703531

IUPACN-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCNC(=O)c1cccc(OC)c1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-4-11(2)14(17)16(21)19-9-8-18-15(20)12-6-5-7-13(10-12)22-3;/h5-7,10-11,14H,4,8-9,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyHNGZDMXMPZGJAC-UHFFFAOYSA-N
MW343.86 g/mol
LogP1.34
Rot. Bonds8

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

N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride (PubChem CID 119703531) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
PubChem CID119703531
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC NameN-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCNC(=O)c1cccc(OC)c1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-4-11(2)14(17)16(21)19-9-8-18-15(20)12-6-5-7-13(10-12)22-3;/h5-7,10-11,14H,4,8-9,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyHNGZDMXMPZGJAC-UHFFFAOYSA-N
XLogP1.34
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.34
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

N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
CID 78846238
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-methoxy-N-tridecylbenzamide
CID 139819898
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methoxybenzamide
CID 108539201
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate
CID 108571269

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride (CID 119703531) is N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride is CCC(C)C(N)C(=O)NCCNC(=O)c1cccc(OC)c1.Cl.
What is the InChIKey of N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride?
The InChIKey is HNGZDMXMPZGJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c1-4-11(2)14(17)16(21)19-9-8-18-15(20)12-6-5-7-13(10-12)22-3;/h5-7,10-11,14H,4,8-9,17H2,1-3H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride?
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119703531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).