N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide

C22H30N5O4+ — CID 7333313

IUPACN-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide
SMILESCOc1ccccc1NC(=O)NCC[NH+]1CCN(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C22H29N5O4/c1-30-19-9-5-3-7-17(19)24-21(28)23-11-12-26-13-15-27(16-14-26)22(29)25-18-8-4-6-10-20(18)31-2/h3-10H,11-16H2,1-2H3,(H,25,29)(H2,23,24,28)/p+1
InChIKeyANRSVCOCKSMWID-UHFFFAOYSA-O
MW428.51 g/mol
LogP1.26
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide

N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide (PubChem CID 7333313) has the molecular formula C22H30N5O4+ and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide
PubChem CID7333313
Molecular FormulaC22H30N5O4+
Molecular Weight428.51 g/mol
Exact Mass428.23
IUPAC NameN-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide
SMILESCOc1ccccc1NC(=O)NCC[NH+]1CCN(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C22H29N5O4/c1-30-19-9-5-3-7-17(19)24-21(28)23-11-12-26-13-15-27(16-14-26)22(29)25-18-8-4-6-10-20(18)31-2/h3-10H,11-16H2,1-2H3,(H,25,29)(H2,23,24,28)/p+1
InChIKeyANRSVCOCKSMWID-UHFFFAOYSA-O
XLogP1.26
TPSA96.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(2-methoxyanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 3822869
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(3-cyanopropyl)-3-(2-methoxyphenyl)urea
CID 62666828
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
1-(2-azidoethyl)-3-(2-methoxyphenyl)urea
CID 61342696
1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51952440

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide (CID 7333313) is N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide is COc1ccccc1NC(=O)NCC[NH+]1CCN(C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide?
The InChIKey is ANRSVCOCKSMWID-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N5O4/c1-30-19-9-5-3-7-17(19)24-21(28)23-11-12-26-13-15-27(16-14-26)22(29)25-18-8-4-6-10-20(18)31-2/h3-10H,11-16H2,1-2H3,(H,25,29)(H2,23,24,28)/p+1.
What are the key properties of N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide?
N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 1.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]piperazin-4-ium-1-carboxamide is sourced from PubChem (CID 7333313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).