formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate

C27H34N2O4 — CID 142101970

IUPACformaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESC=O.CCN(CC)c1ccc(NC(=O)OC(CCc2ccc(C)cc2)c2ccco2)c(C)c1
InChIInChI=1S/C26H32N2O3.CH2O/c1-5-28(6-2)22-14-15-23(20(4)18-22)27-26(29)31-25(24-8-7-17-30-24)16-13-21-11-9-19(3)10-12-21;1-2/h7-12,14-15,17-18,25H,5-6,13,16H2,1-4H3,(H,27,29);1H2
InChIKeyDYSMRLGAADMMFD-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.48
Rot. Bonds9

About formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate

formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate (PubChem CID 142101970) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Nameformaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
PubChem CID142101970
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Nameformaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESC=O.CCN(CC)c1ccc(NC(=O)OC(CCc2ccc(C)cc2)c2ccco2)c(C)c1
InChIInChI=1S/C26H32N2O3.CH2O/c1-5-28(6-2)22-14-15-23(20(4)18-22)27-26(29)31-25(24-8-7-17-30-24)16-13-21-11-9-19(3)10-12-21;1-2/h7-12,14-15,17-18,25H,5-6,13,16H2,1-4H3,(H,27,29);1H2
InChIKeyDYSMRLGAADMMFD-UHFFFAOYSA-N
XLogP6.48
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
(2-cyano-1-phenylethyl) N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22948519
[2-(benzenesulfonyl)-1-phenylethyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22086014
(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 837387
[2-(chloromethylsulfonyl)-1-phenylethyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22955870
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23514727
1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889588
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109020065
1-[2-(4-bromophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108902455
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999

Frequently Asked Questions

What is the IUPAC name of formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate?
The IUPAC name of formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate (CID 142101970) is formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate?
The canonical SMILES for formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate is C=O.CCN(CC)c1ccc(NC(=O)OC(CCc2ccc(C)cc2)c2ccco2)c(C)c1.
What is the InChIKey of formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate?
The InChIKey is DYSMRLGAADMMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3.CH2O/c1-5-28(6-2)22-14-15-23(20(4)18-22)27-26(29)31-25(24-8-7-17-30-24)16-13-21-11-9-19(3)10-12-21;1-2/h7-12,14-15,17-18,25H,5-6,13,16H2,1-4H3,(H,27,29);1H2.
What are the key properties of formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate?
formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate has a molecular weight of 450.58 g/mol, XLogP of 6.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;[1-(furan-2-yl)-3-(4-methylphenyl)propyl] N-[4-(diethylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 142101970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).