1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea

C20H29N3O2 — CID 154747609

IUPAC1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)N(CC1CC1)C1CC1
InChIInChI=1S/C20H29N3O2/c24-20(23(19-7-8-19)15-17-1-2-17)21-18-5-3-16(4-6-18)9-10-22-11-13-25-14-12-22/h3-6,17,19H,1-2,7-15H2,(H,21,24)
InChIKeyMUXBLSIMFVRNCS-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.97
Rot. Bonds7

About 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea

1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea (PubChem CID 154747609) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
PubChem CID154747609
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)N(CC1CC1)C1CC1
InChIInChI=1S/C20H29N3O2/c24-20(23(19-7-8-19)15-17-1-2-17)21-18-5-3-16(4-6-18)9-10-22-11-13-25-14-12-22/h3-6,17,19H,1-2,7-15H2,(H,21,24)
InChIKeyMUXBLSIMFVRNCS-UHFFFAOYSA-N
XLogP2.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
CID 119860951
1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea
CID 167926302
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954
3-[4-(azocan-1-yl)phenyl]-1-[[4-[[[4-(azocan-1-yl)phenyl]carbamoyl-cyclohexylamino]methyl]cyclohexyl]methyl]-1-cyclohexylurea
CID 18934994
(2R)-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-2-carboxamide
CID 119860916
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
CID 60545648
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120633725
(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
CID 51966665
N-[4-(2-morpholin-4-ylethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119860942
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea?
The IUPAC name of 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea (CID 154747609) is 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea is O=C(Nc1ccc(CCN2CCOCC2)cc1)N(CC1CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea?
The InChIKey is MUXBLSIMFVRNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(23(19-7-8-19)15-17-1-2-17)21-18-5-3-16(4-6-18)9-10-22-11-13-25-14-12-22/h3-6,17,19H,1-2,7-15H2,(H,21,24).
What are the key properties of 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea?
1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea has a molecular weight of 343.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea is sourced from PubChem (CID 154747609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).