2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide

C20H32N4O3 — CID 46820727

IUPAC2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCCCCNC(=O)CN1CCN(C(C)C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C20H32N4O3/c1-4-5-10-21-19(25)15-23-11-13-24(14-12-23)16(2)20(26)22-17-8-6-7-9-18(17)27-3/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyDDRQVAPAEMBVHP-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.56
Rot. Bonds9

About 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide

2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 46820727) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID46820727
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCCCCNC(=O)CN1CCN(C(C)C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C20H32N4O3/c1-4-5-10-21-19(25)15-23-11-13-24(14-12-23)16(2)20(26)22-17-8-6-7-9-18(17)27-3/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyDDRQVAPAEMBVHP-UHFFFAOYSA-N
XLogP1.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 8774372
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 43030846
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
(2R)-N-(2-methoxyphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300414
(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8721291
N-butyl-N'-(2-methoxyphenyl)propanediamide
CID 108941476
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55565664
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55494767
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 46820727) is 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is CCCCNC(=O)CN1CCN(C(C)C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is DDRQVAPAEMBVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-5-10-21-19(25)15-23-11-13-24(14-12-23)16(2)20(26)22-17-8-6-7-9-18(17)27-3/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 376.50 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 46820727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).