1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea

C16H25N3O3 — CID 129478739

IUPAC1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
SMILESCN1CCO[C@H](CN(CC2CC2)C(=O)NCc2ccoc2)C1
InChIInChI=1S/C16H25N3O3/c1-18-5-7-22-15(10-18)11-19(9-13-2-3-13)16(20)17-8-14-4-6-21-12-14/h4,6,12-13,15H,2-3,5,7-11H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyXZHOKKCLQYQSAA-HNNXBMFYSA-N
MW307.39 g/mol
LogP1.53
Rot. Bonds6

About 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea

1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea (PubChem CID 129478739) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
PubChem CID129478739
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
SMILESCN1CCO[C@H](CN(CC2CC2)C(=O)NCc2ccoc2)C1
InChIInChI=1S/C16H25N3O3/c1-18-5-7-22-15(10-18)11-19(9-13-2-3-13)16(20)17-8-14-4-6-21-12-14/h4,6,12-13,15H,2-3,5,7-11H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyXZHOKKCLQYQSAA-HNNXBMFYSA-N
XLogP1.53
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[furan-3-ylmethylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 154753725
1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 129476167
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128996448
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea
CID 128997935
2-acetamido-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]acetamide
CID 129342815
3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
CID 146141590
N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007
N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478726
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
N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide
CID 129478828

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea (CID 129478739) is 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea is CN1CCO[C@H](CN(CC2CC2)C(=O)NCc2ccoc2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea?
The InChIKey is XZHOKKCLQYQSAA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-5-7-22-15(10-18)11-19(9-13-2-3-13)16(20)17-8-14-4-6-21-12-14/h4,6,12-13,15H,2-3,5,7-11H2,1H3,(H,17,20)/t15-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea?
1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea has a molecular weight of 307.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea is sourced from PubChem (CID 129478739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).