N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide

C24H38N4O3 — CID 177221332

IUPACN-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide
SMILESCCc1ccccc1CNCCCC(=O)N1CCN(C(=O)CCCCCNC=O)CC1
InChIInChI=1S/C24H38N4O3/c1-2-21-9-5-6-10-22(21)19-25-14-8-12-24(31)28-17-15-27(16-18-28)23(30)11-4-3-7-13-26-20-29/h5-6,9-10,20,25H,2-4,7-8,11-19H2,1H3,(H,26,29)
InChIKeyUBGGEKMNDNAHPV-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.10
Rot. Bonds14

About N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide

N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide (PubChem CID 177221332) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide.

Molecular Properties

Compound NameN-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide
PubChem CID177221332
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC NameN-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide
SMILESCCc1ccccc1CNCCCC(=O)N1CCN(C(=O)CCCCCNC=O)CC1
InChIInChI=1S/C24H38N4O3/c1-2-21-9-5-6-10-22(21)19-25-14-8-12-24(31)28-17-15-27(16-18-28)23(30)11-4-3-7-13-26-20-29/h5-6,9-10,20,25H,2-4,7-8,11-19H2,1H3,(H,26,29)
InChIKeyUBGGEKMNDNAHPV-UHFFFAOYSA-N
XLogP2.10
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one
CID 146255651
6-[(2-methoxyphenyl)methylamino]-1-[4-[3-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]propyl]piperidin-1-yl]hexan-1-one
CID 11296868
2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39439879
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
[6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea
CID 9162651
1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119754849
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
N-[6-(3-hydroxy-4-propan-2-ylpyrrolidin-1-yl)-6-oxohexyl]formamide
CID 147227422
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide?
The IUPAC name of N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide (CID 177221332) is N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide.
What is the SMILES notation for N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide?
The canonical SMILES for N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide is CCc1ccccc1CNCCCC(=O)N1CCN(C(=O)CCCCCNC=O)CC1.
What is the InChIKey of N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide?
The InChIKey is UBGGEKMNDNAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-2-21-9-5-6-10-22(21)19-25-14-8-12-24(31)28-17-15-27(16-18-28)23(30)11-4-3-7-13-26-20-29/h5-6,9-10,20,25H,2-4,7-8,11-19H2,1H3,(H,26,29).
What are the key properties of N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide?
N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide has a molecular weight of 430.59 g/mol, XLogP of 2.10, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide is sourced from PubChem (CID 177221332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).