1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea

C20H27N3O3 — CID 51291075

IUPAC1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H27N3O3/c1-25-18-8-3-2-7-16(18)10-11-21-20(24)22-15-17(19-9-6-14-26-19)23-12-4-5-13-23/h2-3,6-9,14,17H,4-5,10-13,15H2,1H3,(H2,21,22,24)
InChIKeyKCKMQRTUKBUVQM-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.97
Rot. Bonds8

About 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 51291075) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID51291075
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H27N3O3/c1-25-18-8-3-2-7-16(18)10-11-21-20(24)22-15-17(19-9-6-14-26-19)23-12-4-5-13-23/h2-3,6-9,14,17H,4-5,10-13,15H2,1H3,(H2,21,22,24)
InChIKeyKCKMQRTUKBUVQM-UHFFFAOYSA-N
XLogP2.97
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 41234286
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 16809801
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111008229
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8700451
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94172073
2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41111766
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 26819379

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 51291075) is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is KCKMQRTUKBUVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-25-18-8-3-2-7-16(18)10-11-21-20(24)22-15-17(19-9-6-14-26-19)23-12-4-5-13-23/h2-3,6-9,14,17H,4-5,10-13,15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 357.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 51291075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).