3-(benzylamino)-N,N-dipropylpropanamide

C16H26N2O — CID 109018966

IUPAC3-(benzylamino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-12-18(13-4-2)16(19)10-11-17-14-15-8-6-5-7-9-15/h5-9,17H,3-4,10-14H2,1-2H3
InChIKeyGPGWUNRVMDBMCL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds9

About 3-(benzylamino)-N,N-dipropylpropanamide

3-(benzylamino)-N,N-dipropylpropanamide (PubChem CID 109018966) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(benzylamino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(benzylamino)-N,N-dipropylpropanamide
PubChem CID109018966
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(benzylamino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-12-18(13-4-2)16(19)10-11-17-14-15-8-6-5-7-9-15/h5-9,17H,3-4,10-14H2,1-2H3
InChIKeyGPGWUNRVMDBMCL-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
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

3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019631
3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019300
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N-(2-bromoethyl)-4-phenyl-N-propylbutanamide
CID 80660803
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
2-(benzylamino)-N,N-diethylacetamide
CID 10857021
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(benzylamino)-N,N-dipropylpropanamide (CID 109018966) is 3-(benzylamino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(benzylamino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(benzylamino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCNCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-N,N-dipropylpropanamide?
The InChIKey is GPGWUNRVMDBMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-12-18(13-4-2)16(19)10-11-17-14-15-8-6-5-7-9-15/h5-9,17H,3-4,10-14H2,1-2H3.
What are the key properties of 3-(benzylamino)-N,N-dipropylpropanamide?
3-(benzylamino)-N,N-dipropylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-N,N-dipropylpropanamide is sourced from PubChem (CID 109018966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).