1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea

C18H26N4O2 — CID 100839373

IUPAC1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea
SMILESCCN(C[C@@H](C)C#N)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1
InChIInChI=1S/C18H26N4O2/c1-4-21(12-14(2)11-19)18(23)20-16-5-7-17(8-6-16)22-9-10-24-15(3)13-22/h5-8,14-15H,4,9-10,12-13H2,1-3H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyDUNSIKNNUVUKSC-GJZGRUSLSA-N
MW330.43 g/mol
LogP2.93
Rot. Bonds5

About 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea

1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea (PubChem CID 100839373) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea
PubChem CID100839373
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea
SMILESCCN(C[C@@H](C)C#N)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1
InChIInChI=1S/C18H26N4O2/c1-4-21(12-14(2)11-19)18(23)20-16-5-7-17(8-6-16)22-9-10-24-15(3)13-22/h5-8,14-15H,4,9-10,12-13H2,1-3H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyDUNSIKNNUVUKSC-GJZGRUSLSA-N
XLogP2.93
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637249
2-bromo-5-[[2-cyanopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 115296818
1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
CID 95634857
N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 91661182
2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637279
5-[[2-cyanopropyl(ethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157995
1-[4-(2-methylmorpholin-4-yl)phenyl]ethanol
CID 43505918
1-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95634852
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea?
The IUPAC name of 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea (CID 100839373) is 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea?
The canonical SMILES for 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea is CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1.
What is the InChIKey of 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea?
The InChIKey is DUNSIKNNUVUKSC-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-21(12-14(2)11-19)18(23)20-16-5-7-17(8-6-16)22-9-10-24-15(3)13-22/h5-8,14-15H,4,9-10,12-13H2,1-3H3,(H,20,23)/t14-,15-/m0/s1.
What are the key properties of 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea?
1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyanopropyl]-1-ethyl-3-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]urea is sourced from PubChem (CID 100839373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).