1-(4-morpholin-4-ylphenyl)-3-propylurea

C14H21N3O2 — CID 2788991

IUPAC1-(4-morpholin-4-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2/c1-2-7-15-14(18)16-12-3-5-13(6-4-12)17-8-10-19-11-9-17/h3-6H,2,7-11H2,1H3,(H2,15,16,18)
InChIKeyAYGDGDSDPOKHEN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds4

About 1-(4-morpholin-4-ylphenyl)-3-propylurea

1-(4-morpholin-4-ylphenyl)-3-propylurea (PubChem CID 2788991) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-3-propylurea
PubChem CID2788991
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4-morpholin-4-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2/c1-2-7-15-14(18)16-12-3-5-13(6-4-12)17-8-10-19-11-9-17/h3-6H,2,7-11H2,1H3,(H2,15,16,18)
InChIKeyAYGDGDSDPOKHEN-UHFFFAOYSA-N
XLogP2.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-3-propylurea
CID 110637567
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
CID 67112698
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
CID 35014792
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-propylurea?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-propylurea (CID 2788991) is 1-(4-morpholin-4-ylphenyl)-3-propylurea.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-3-propylurea?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-3-propylurea is CCCNC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-3-propylurea?
The InChIKey is AYGDGDSDPOKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-7-15-14(18)16-12-3-5-13(6-4-12)17-8-10-19-11-9-17/h3-6H,2,7-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-morpholin-4-ylphenyl)-3-propylurea?
1-(4-morpholin-4-ylphenyl)-3-propylurea has a molecular weight of 263.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-3-propylurea is sourced from PubChem (CID 2788991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).