4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide

C18H28N2O3 — CID 4062495

IUPAC4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
SMILESCOCCCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)15-8-6-14(7-9-15)17(22)20-12-10-16(21)19-11-5-13-23-4/h6-9H,5,10-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyGIEMYAKDLBCGFK-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.26
Rot. Bonds8

About 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide

4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide (PubChem CID 4062495) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
PubChem CID4062495
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
SMILESCOCCCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)15-8-6-14(7-9-15)17(22)20-12-10-16(21)19-11-5-13-23-4/h6-9H,5,10-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyGIEMYAKDLBCGFK-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
tert-butyl N-[3-[3-[(4-tert-butylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921611
4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 110297948
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
3,4-dihydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103956666
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
tert-butyl N-[3-[3-[(4-methylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921542
2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 110407721
4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide (CID 4062495) is 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide is COCCCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide?
The InChIKey is GIEMYAKDLBCGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)15-8-6-14(7-9-15)17(22)20-12-10-16(21)19-11-5-13-23-4/h6-9H,5,10-13H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 4062495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).