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

C16H25N3O3 — CID 119703544

IUPACN-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide
SMILESCCCC(C)(N)C(=O)NCCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C16H25N3O3/c1-4-8-16(2,17)15(21)19-10-9-18-14(20)12-6-5-7-13(11-12)22-3/h5-7,11H,4,8-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRNEWXVZUZKUNAU-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.06
Rot. Bonds8

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

N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide (PubChem CID 119703544) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide
PubChem CID119703544
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide
SMILESCCCC(C)(N)C(=O)NCCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C16H25N3O3/c1-4-8-16(2,17)15(21)19-10-9-18-14(20)12-6-5-7-13(11-12)22-3/h5-7,11H,4,8-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRNEWXVZUZKUNAU-UHFFFAOYSA-N
XLogP1.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.06
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-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119702770
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-tridecylbenzamide
CID 139819898
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
CID 119804565
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide
CID 71879808
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide
CID 111043016
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703531
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide (CID 119703544) is N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide is CCCC(C)(N)C(=O)NCCNC(=O)c1cccc(OC)c1.
What is the InChIKey of N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide?
The InChIKey is RNEWXVZUZKUNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-8-16(2,17)15(21)19-10-9-18-14(20)12-6-5-7-13(11-12)22-3/h5-7,11H,4,8-10,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide?
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide has a molecular weight of 307.39 g/mol, XLogP of 1.06, 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-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 119703544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).