N-[3-(octylamino)phenyl]propanamide

C17H28N2O — CID 43130255

IUPACN-[3-(octylamino)phenyl]propanamide
SMILESCCCCCCCCNc1cccc(NC(=O)CC)c1
InChIInChI=1S/C17H28N2O/c1-3-5-6-7-8-9-13-18-15-11-10-12-16(14-15)19-17(20)4-2/h10-12,14,18H,3-9,13H2,1-2H3,(H,19,20)
InChIKeyNRFMCTNKBCMWAR-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.81
Rot. Bonds10

About N-[3-(octylamino)phenyl]propanamide

N-[3-(octylamino)phenyl]propanamide (PubChem CID 43130255) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[3-(octylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(octylamino)phenyl]propanamide
PubChem CID43130255
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[3-(octylamino)phenyl]propanamide
SMILESCCCCCCCCNc1cccc(NC(=O)CC)c1
InChIInChI=1S/C17H28N2O/c1-3-5-6-7-8-9-13-18-15-11-10-12-16(14-15)19-17(20)4-2/h10-12,14,18H,3-9,13H2,1-2H3,(H,19,20)
InChIKeyNRFMCTNKBCMWAR-UHFFFAOYSA-N
XLogP4.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.81
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

1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
1-N-methyl-3-N-pentylbenzene-1,3-diamine
CID 117027123
N-methyl-3-(octylamino)benzamide
CID 43130223
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
3-bromo-N-octylaniline
CID 43129310
3-N-octadecylbenzene-1,3-diamine
CID 154090035
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
[3-(octylamino)phenyl]boronic acid
CID 70041370
N-[5-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844856

Frequently Asked Questions

What is the IUPAC name of N-[3-(octylamino)phenyl]propanamide?
The IUPAC name of N-[3-(octylamino)phenyl]propanamide (CID 43130255) is N-[3-(octylamino)phenyl]propanamide.
What is the SMILES notation for N-[3-(octylamino)phenyl]propanamide?
The canonical SMILES for N-[3-(octylamino)phenyl]propanamide is CCCCCCCCNc1cccc(NC(=O)CC)c1.
What is the InChIKey of N-[3-(octylamino)phenyl]propanamide?
The InChIKey is NRFMCTNKBCMWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-6-7-8-9-13-18-15-11-10-12-16(14-15)19-17(20)4-2/h10-12,14,18H,3-9,13H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(octylamino)phenyl]propanamide?
N-[3-(octylamino)phenyl]propanamide has a molecular weight of 276.42 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(octylamino)phenyl]propanamide is sourced from PubChem (CID 43130255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).