N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide

C22H28N2O2 — CID 26161397

IUPACN-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-4-5-6-10-21(25)23-19-8-7-9-20(15-19)24-22(26)18-13-11-17(12-14-18)16(2)3/h7-9,11-16H,4-6,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUYHNUHOVYFZYTJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.58
Rot. Bonds8

About N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide

N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide (PubChem CID 26161397) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide
PubChem CID26161397
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-4-5-6-10-21(25)23-19-8-7-9-20(15-19)24-22(26)18-13-11-17(12-14-18)16(2)3/h7-9,11-16H,4-6,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUYHNUHOVYFZYTJ-UHFFFAOYSA-N
XLogP5.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
CID 17177482
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide
CID 6119425
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54836855
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
CID 42579564

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide (CID 26161397) is N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide is CCCCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is UYHNUHOVYFZYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-5-6-10-21(25)23-19-8-7-9-20(15-19)24-22(26)18-13-11-17(12-14-18)16(2)3/h7-9,11-16H,4-6,10H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide?
N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 5.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 26161397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).