2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid

C17H26N4O4 — CID 141120609

IUPAC2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid
SMILESCOc1ccc(NC(=O)N(CCNC(=O)O)CCN2CCCC2)cc1
InChIInChI=1S/C17H26N4O4/c1-25-15-6-4-14(5-7-15)19-16(22)21(11-8-18-17(23)24)13-12-20-9-2-3-10-20/h4-7,18H,2-3,8-13H2,1H3,(H,19,22)(H,23,24)
InChIKeyJCIYWWVSKJUEMO-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.89
Rot. Bonds8

About 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid

2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid (PubChem CID 141120609) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid
PubChem CID141120609
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid
SMILESCOc1ccc(NC(=O)N(CCNC(=O)O)CCN2CCCC2)cc1
InChIInChI=1S/C17H26N4O4/c1-25-15-6-4-14(5-7-15)19-16(22)21(11-8-18-17(23)24)13-12-20-9-2-3-10-20/h4-7,18H,2-3,8-13H2,1H3,(H,19,22)(H,23,24)
InChIKeyJCIYWWVSKJUEMO-UHFFFAOYSA-N
XLogP1.89
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
1-[2-[[4-(diethylamino)phenyl]carbamothioylamino]ethyl]-1-(2-pyrrolidin-1-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 87621893
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406
3-(4-ethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 3346808
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
4-[5-[(4-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44526868
(2R)-4-(4-methoxyanilino)-4-oxo-2-(pyrrolidin-1-ylmethyl)butanoic acid
CID 95389057
1,1-bis(cyanomethyl)-3-(4-methoxyphenyl)urea
CID 51050088
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid?
The IUPAC name of 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid (CID 141120609) is 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid is COc1ccc(NC(=O)N(CCNC(=O)O)CCN2CCCC2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid?
The InChIKey is JCIYWWVSKJUEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-25-15-6-4-14(5-7-15)19-16(22)21(11-8-18-17(23)24)13-12-20-9-2-3-10-20/h4-7,18H,2-3,8-13H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid?
2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid has a molecular weight of 350.42 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]ethylcarbamic acid is sourced from PubChem (CID 141120609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).