N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide

C28H33N3O2 — CID 23798992

IUPACN-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(CN(CCCN)C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C28H33N3O2/c1-28(2,3)24-15-13-22(14-16-24)26(32)30-25-12-7-9-21(19-25)20-31(18-8-17-29)27(33)23-10-5-4-6-11-23/h4-7,9-16,19H,8,17-18,20,29H2,1-3H3,(H,30,32)
InChIKeyGOQKBRNQCGJPML-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.23
Rot. Bonds8

About N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide

N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide (PubChem CID 23798992) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
PubChem CID23798992
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(CN(CCCN)C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C28H33N3O2/c1-28(2,3)24-15-13-22(14-16-24)26(32)30-25-12-7-9-21(19-25)20-31(18-8-17-29)27(33)23-10-5-4-6-11-23/h4-7,9-16,19H,8,17-18,20,29H2,1-3H3,(H,30,32)
InChIKeyGOQKBRNQCGJPML-UHFFFAOYSA-N
XLogP5.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23824934
N-(3-aminopropyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23766917
N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 23961115
N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23995243
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
CID 23969364
3-benzamido-N,N-dibutylbenzamide
CID 4270775
tert-butyl N-[[3-[(4-benzamidobenzoyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55647395
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide
CID 23855130
N-[4-[[[3-(aminomethyl)phenyl]methyl-(2-phenoxyacetyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23826240

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide (CID 23798992) is N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(CN(CCCN)C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide?
The InChIKey is GOQKBRNQCGJPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-28(2,3)24-15-13-22(14-16-24)26(32)30-25-12-7-9-21(19-25)20-31(18-8-17-29)27(33)23-10-5-4-6-11-23/h4-7,9-16,19H,8,17-18,20,29H2,1-3H3,(H,30,32).
What are the key properties of N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide?
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide has a molecular weight of 443.59 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 23798992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).