N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide

C15H27N3O — CID 66413975

IUPACN,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide
SMILESCCCn1ccc(CNC(C)C(=O)N(CC)CC)c1
InChIInChI=1S/C15H27N3O/c1-5-9-17-10-8-14(12-17)11-16-13(4)15(19)18(6-2)7-3/h8,10,12-13,16H,5-7,9,11H2,1-4H3
InChIKeyFEGPTYJWZSLAMR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.24
Rot. Bonds8

About N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide

N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide (PubChem CID 66413975) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide
PubChem CID66413975
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide
SMILESCCCn1ccc(CNC(C)C(=O)N(CC)CC)c1
InChIInChI=1S/C15H27N3O/c1-5-9-17-10-8-14(12-17)11-16-13(4)15(19)18(6-2)7-3/h8,10,12-13,16H,5-7,9,11H2,1-4H3
InChIKeyFEGPTYJWZSLAMR-UHFFFAOYSA-N
XLogP2.24
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
CID 66405145
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401978
N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63051555
2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
CID 66473610
1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
CID 66415546
(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol
CID 103527298
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 43424955

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide (CID 66413975) is N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide is CCCn1ccc(CNC(C)C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide?
The InChIKey is FEGPTYJWZSLAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-9-17-10-8-14(12-17)11-16-13(4)15(19)18(6-2)7-3/h8,10,12-13,16H,5-7,9,11H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide?
N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide has a molecular weight of 265.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide is sourced from PubChem (CID 66413975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).