N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide

C24H38N2O — CID 42697019

IUPACN-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
SMILESCCCCCCCCC(=O)N(C/C=C/c1ccccc1)CCN1CCCC1
InChIInChI=1S/C24H38N2O/c1-2-3-4-5-6-10-17-24(27)26(22-21-25-18-11-12-19-25)20-13-16-23-14-8-7-9-15-23/h7-9,13-16H,2-6,10-12,17-22H2,1H3/b16-13+
InChIKeyPSLXERARBZBIKX-DTQAZKPQSA-N
MW370.58 g/mol
LogP5.37
Rot. Bonds13

About N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide

N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide (PubChem CID 42697019) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
PubChem CID42697019
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC NameN-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
SMILESCCCCCCCCC(=O)N(C/C=C/c1ccccc1)CCN1CCCC1
InChIInChI=1S/C24H38N2O/c1-2-3-4-5-6-10-17-24(27)26(22-21-25-18-11-12-19-25)20-13-16-23-14-8-7-9-15-23/h7-9,13-16H,2-6,10-12,17-22H2,1H3/b16-13+
InChIKeyPSLXERARBZBIKX-DTQAZKPQSA-N
XLogP5.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-1-[(E)-3-phenylprop-2-enyl]-1-(2-piperidin-1-ylethyl)urea
CID 42702437
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]hexanamide
CID 3568708
N-[2-(4-decanoylpiperazin-1-yl)ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylbutanamide
CID 4288845
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
N-ethyl-3-(1,2-oxazolidin-2-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50963327
N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide
CID 42696067
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide
CID 42701804
benzyl N-heptyl-N-[2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]carbamate
CID 70962858
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 4582164
N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide
CID 113123058
N-(4-ethylphenyl)-4-[2-[hexanoyl-[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]ethyl]piperazine-1-carboxamide
CID 6178697

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide (CID 42697019) is N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide is CCCCCCCCC(=O)N(C/C=C/c1ccccc1)CCN1CCCC1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide?
The InChIKey is PSLXERARBZBIKX-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H38N2O/c1-2-3-4-5-6-10-17-24(27)26(22-21-25-18-11-12-19-25)20-13-16-23-14-8-7-9-15-23/h7-9,13-16H,2-6,10-12,17-22H2,1H3/b16-13+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide?
N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide has a molecular weight of 370.58 g/mol, XLogP of 5.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide is sourced from PubChem (CID 42697019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).