N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide

C19H27N3O — CID 46343167

IUPACN-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide
SMILESCCN(CCCNC(=O)CCn1cccc1)Cc1ccccc1
InChIInChI=1S/C19H27N3O/c1-2-21(17-18-9-4-3-5-10-18)15-8-12-20-19(23)11-16-22-13-6-7-14-22/h3-7,9-10,13-14H,2,8,11-12,15-17H2,1H3,(H,20,23)
InChIKeyDLEKHCYTXOLLIR-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.91
Rot. Bonds10

About N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide

N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide (PubChem CID 46343167) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide
PubChem CID46343167
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide
SMILESCCN(CCCNC(=O)CCn1cccc1)Cc1ccccc1
InChIInChI=1S/C19H27N3O/c1-2-21(17-18-9-4-3-5-10-18)15-8-12-20-19(23)11-16-22-13-6-7-14-22/h3-7,9-10,13-14H,2,8,11-12,15-17H2,1H3,(H,20,23)
InChIKeyDLEKHCYTXOLLIR-UHFFFAOYSA-N
XLogP2.91
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(ethyl)amino]-N-(3-methoxypropyl)propanamide
CID 109015351
N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide
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CID 109023063
N-[3-[benzyl(ethyl)amino]propyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22513091
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3-[2-[3-[benzyl(ethyl)amino]propylamino]-2-oxoethyl]-1-ethylindole-2-carboxylic acid
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N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide
CID 18118692
N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide
CID 108518765
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
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CID 51362720

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide (CID 46343167) is N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide is CCN(CCCNC(=O)CCn1cccc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is DLEKHCYTXOLLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-21(17-18-9-4-3-5-10-18)15-8-12-20-19(23)11-16-22-13-6-7-14-22/h3-7,9-10,13-14H,2,8,11-12,15-17H2,1H3,(H,20,23).
What are the key properties of N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide?
N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 313.44 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46343167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).