1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea

C17H28N4O2 — CID 129476167

IUPAC1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)NCCn2cccc2)C1
InChIInChI=1S/C17H28N4O2/c1-19-10-11-23-16(13-19)14-21(12-15-4-5-15)17(22)18-6-9-20-7-2-3-8-20/h2-3,7-8,15-16H,4-6,9-14H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyOIWRKSRGJYUHOB-MRXNPFEDSA-N
MW320.44 g/mol
LogP1.24
Rot. Bonds7

About 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea

1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea (PubChem CID 129476167) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
PubChem CID129476167
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)NCCn2cccc2)C1
InChIInChI=1S/C17H28N4O2/c1-19-10-11-23-16(13-19)14-21(12-15-4-5-15)17(22)18-6-9-20-7-2-3-8-20/h2-3,7-8,15-16H,4-6,9-14H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyOIWRKSRGJYUHOB-MRXNPFEDSA-N
XLogP1.24
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea (CID 129476167) is 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea is CN1CCO[C@@H](CN(CC2CC2)C(=O)NCCn2cccc2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea?
The InChIKey is OIWRKSRGJYUHOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19-10-11-23-16(13-19)14-21(12-15-4-5-15)17(22)18-6-9-20-7-2-3-8-20/h2-3,7-8,15-16H,4-6,9-14H2,1H3,(H,18,22)/t16-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea?
1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea has a molecular weight of 320.44 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea is sourced from PubChem (CID 129476167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).