3-(octan-2-ylamino)-N-propylbenzamide

C18H30N2O — CID 43676007

IUPAC3-(octan-2-ylamino)-N-propylbenzamide
SMILESCCCCCCC(C)Nc1cccc(C(=O)NCCC)c1
InChIInChI=1S/C18H30N2O/c1-4-6-7-8-10-15(3)20-17-12-9-11-16(14-17)18(21)19-13-5-2/h9,11-12,14-15,20H,4-8,10,13H2,1-3H3,(H,19,21)
InChIKeyZRCGILGOOSOLTB-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.60
Rot. Bonds10

About 3-(octan-2-ylamino)-N-propylbenzamide

3-(octan-2-ylamino)-N-propylbenzamide (PubChem CID 43676007) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(octan-2-ylamino)-N-propylbenzamide.

Molecular Properties

Compound Name3-(octan-2-ylamino)-N-propylbenzamide
PubChem CID43676007
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(octan-2-ylamino)-N-propylbenzamide
SMILESCCCCCCC(C)Nc1cccc(C(=O)NCCC)c1
InChIInChI=1S/C18H30N2O/c1-4-6-7-8-10-15(3)20-17-12-9-11-16(14-17)18(21)19-13-5-2/h9,11-12,14-15,20H,4-8,10,13H2,1-3H3,(H,19,21)
InChIKeyZRCGILGOOSOLTB-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.60
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

3-(octan-2-ylamino)phenol
CID 43130083
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-(heptan-2-ylamino)phenol
CID 43207062
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
5-(heptan-2-ylamino)benzene-1,3-dicarboxamide
CID 43206266
3-bromo-N-dodecylbenzamide
CID 603918
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708
N-[2-[[(2S)-heptan-2-yl]amino]ethyl]-3-(2-hexylnonoxy)benzamide
CID 155048731
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822

Frequently Asked Questions

What is the IUPAC name of 3-(octan-2-ylamino)-N-propylbenzamide?
The IUPAC name of 3-(octan-2-ylamino)-N-propylbenzamide (CID 43676007) is 3-(octan-2-ylamino)-N-propylbenzamide.
What is the SMILES notation for 3-(octan-2-ylamino)-N-propylbenzamide?
The canonical SMILES for 3-(octan-2-ylamino)-N-propylbenzamide is CCCCCCC(C)Nc1cccc(C(=O)NCCC)c1.
What is the InChIKey of 3-(octan-2-ylamino)-N-propylbenzamide?
The InChIKey is ZRCGILGOOSOLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-6-7-8-10-15(3)20-17-12-9-11-16(14-17)18(21)19-13-5-2/h9,11-12,14-15,20H,4-8,10,13H2,1-3H3,(H,19,21).
What are the key properties of 3-(octan-2-ylamino)-N-propylbenzamide?
3-(octan-2-ylamino)-N-propylbenzamide has a molecular weight of 290.45 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(octan-2-ylamino)-N-propylbenzamide is sourced from PubChem (CID 43676007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).