3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide

C18H29N3O3 — CID 119717821

IUPAC3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(C(=O)NCCCOCC)c1
InChIInChI=1S/C18H29N3O3/c1-4-10-18(3,19)17(23)21-15-9-6-8-14(13-15)16(22)20-11-7-12-24-5-2/h6,8-9,13H,4-5,7,10-12,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUYZPFLRLIAWRFX-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.30
Rot. Bonds10

About 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide

3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide (PubChem CID 119717821) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
PubChem CID119717821
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(C(=O)NCCCOCC)c1
InChIInChI=1S/C18H29N3O3/c1-4-10-18(3,19)17(23)21-15-9-6-8-14(13-15)16(22)20-11-7-12-24-5-2/h6,8-9,13H,4-5,7,10-12,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUYZPFLRLIAWRFX-UHFFFAOYSA-N
XLogP2.30
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
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-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51090386
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 53030354
2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide
CID 55924139

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide (CID 119717821) is 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide is CCCC(C)(N)C(=O)Nc1cccc(C(=O)NCCCOCC)c1.
What is the InChIKey of 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide?
The InChIKey is UYZPFLRLIAWRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-10-18(3,19)17(23)21-15-9-6-8-14(13-15)16(22)20-11-7-12-24-5-2/h6,8-9,13H,4-5,7,10-12,19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide?
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide has a molecular weight of 335.45 g/mol, XLogP of 2.30, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 119717821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).