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

C16H27N5O2 — CID 128997935

IUPAC1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea
SMILESCN1CCOC(CN(CC2CC2)C(=O)NCCn2ccnc2)C1
InChIInChI=1S/C16H27N5O2/c1-19-8-9-23-15(11-19)12-21(10-14-2-3-14)16(22)18-5-7-20-6-4-17-13-20/h4,6,13-15H,2-3,5,7-12H2,1H3,(H,18,22)
InChIKeyWVEBDTWWTVENMD-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.64
Rot. Bonds7

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

1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea (PubChem CID 128997935) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea
PubChem CID128997935
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea
SMILESCN1CCOC(CN(CC2CC2)C(=O)NCCn2ccnc2)C1
InChIInChI=1S/C16H27N5O2/c1-19-8-9-23-15(11-19)12-21(10-14-2-3-14)16(22)18-5-7-20-6-4-17-13-20/h4,6,13-15H,2-3,5,7-12H2,1H3,(H,18,22)
InChIKeyWVEBDTWWTVENMD-UHFFFAOYSA-N
XLogP0.64
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 129476167
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide
CID 129341772
1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
CID 129478739
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea
CID 95159896
2-acetamido-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]acetamide
CID 129342815
2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid
CID 63646315
N-(cyclopropylmethyl)-3-ethyl-1-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 129331504
N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
CID 129003814
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129478448
N-(cyclopropylmethyl)-5-(dimethylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyrazine-2-carboxamide
CID 127976011
(3aR,7aS)-N-(2-imidazol-1-ylethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 136588099
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129335888

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea (CID 128997935) is 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea is CN1CCOC(CN(CC2CC2)C(=O)NCCn2ccnc2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea?
The InChIKey is WVEBDTWWTVENMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-19-8-9-23-15(11-19)12-21(10-14-2-3-14)16(22)18-5-7-20-6-4-17-13-20/h4,6,13-15H,2-3,5,7-12H2,1H3,(H,18,22).
What are the key properties of 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea?
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea has a molecular weight of 321.43 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea is sourced from PubChem (CID 128997935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).