N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide

C22H38N2O — CID 143207325

IUPACN-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide
SMILESCCCCCCC(Cc1ccccc1N(CCC)CCC)NC(C)=O
InChIInChI=1S/C22H38N2O/c1-5-8-9-10-14-21(23-19(4)25)18-20-13-11-12-15-22(20)24(16-6-2)17-7-3/h11-13,15,21H,5-10,14,16-18H2,1-4H3,(H,23,25)
InChIKeyNNTFBTCAVLUUGT-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.33
Rot. Bonds13

About N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide

N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide (PubChem CID 143207325) has the molecular formula C22H38N2O and a molecular weight of 346.56 g/mol. Its IUPAC name is N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide
PubChem CID143207325
Molecular FormulaC22H38N2O
Molecular Weight346.56 g/mol
Exact Mass346.30
IUPAC NameN-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide
SMILESCCCCCCC(Cc1ccccc1N(CCC)CCC)NC(C)=O
InChIInChI=1S/C22H38N2O/c1-5-8-9-10-14-21(23-19(4)25)18-20-13-11-12-15-22(20)24(16-6-2)17-7-3/h11-13,15,21H,5-10,14,16-18H2,1-4H3,(H,23,25)
InChIKeyNNTFBTCAVLUUGT-UHFFFAOYSA-N
XLogP5.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87419548
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CID 2195186
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CID 63417244
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
N-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
N-heptadecan-9-yl-2-methylbenzamide
CID 3929540
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
N-(1-fluorooctan-3-yl)acetamide
CID 45120198
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide?
The IUPAC name of N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide (CID 143207325) is N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide is CCCCCCC(Cc1ccccc1N(CCC)CCC)NC(C)=O.
What is the InChIKey of N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide?
The InChIKey is NNTFBTCAVLUUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O/c1-5-8-9-10-14-21(23-19(4)25)18-20-13-11-12-15-22(20)24(16-6-2)17-7-3/h11-13,15,21H,5-10,14,16-18H2,1-4H3,(H,23,25).
What are the key properties of N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide?
N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide has a molecular weight of 346.56 g/mol, XLogP of 5.33, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide is sourced from PubChem (CID 143207325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).