2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate

C27H38N4O4 — CID 10073988

IUPAC2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
SMILESCCCCCC(=O)Nc1cccc(N2CCN(CCOC(=O)Nc3ccccc3OCC)CC2)c1
InChIInChI=1S/C27H38N4O4/c1-3-5-6-14-26(32)28-22-10-9-11-23(21-22)31-17-15-30(16-18-31)19-20-35-27(33)29-24-12-7-8-13-25(24)34-4-2/h7-13,21H,3-6,14-20H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFDVRDAPCWVUVGC-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.97
Rot. Bonds12

About 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate

2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate (PubChem CID 10073988) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate.

Molecular Properties

Compound Name2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
PubChem CID10073988
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Name2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
SMILESCCCCCC(=O)Nc1cccc(N2CCN(CCOC(=O)Nc3ccccc3OCC)CC2)c1
InChIInChI=1S/C27H38N4O4/c1-3-5-6-14-26(32)28-22-10-9-11-23(21-22)31-17-15-30(16-18-31)19-20-35-27(33)29-24-12-7-8-13-25(24)34-4-2/h7-13,21H,3-6,14-20H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFDVRDAPCWVUVGC-UHFFFAOYSA-N
XLogP4.97
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-[3-(diethylamino)propanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10481487
2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10347794
2-[4-[3-(pyridine-3-carbonylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10345437
2-[4-[3-(thiophen-2-ylmethylcarbamoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10369509
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
2-(4-ethylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 3072265
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
CID 58904617
2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10099893
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
2-(azepan-1-yl)ethyl N-(2-pentoxyphenyl)carbamate;hydrochloride
CID 138400224
N-(2-ethoxyphenyl)octanamide
CID 4158866
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The IUPAC name of 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate (CID 10073988) is 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate.
What is the SMILES notation for 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The canonical SMILES for 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate is CCCCCC(=O)Nc1cccc(N2CCN(CCOC(=O)Nc3ccccc3OCC)CC2)c1.
What is the InChIKey of 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The InChIKey is FDVRDAPCWVUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-3-5-6-14-26(32)28-22-10-9-11-23(21-22)31-17-15-30(16-18-31)19-20-35-27(33)29-24-12-7-8-13-25(24)34-4-2/h7-13,21H,3-6,14-20H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate has a molecular weight of 482.63 g/mol, XLogP of 4.97, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate is sourced from PubChem (CID 10073988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).