1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea

C19H29N3O2 — CID 56813457

IUPAC1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESO=C(NCCCCN1CCOCC1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c23-18(20-10-4-5-11-22-12-14-24-15-13-22)21-16-19(8-9-19)17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-16H2,(H2,20,21,23)
InChIKeyBXWSBKBUCJIOMZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.13
Rot. Bonds8

About 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea

1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 56813457) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID56813457
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESO=C(NCCCCN1CCOCC1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c23-18(20-10-4-5-11-22-12-14-24-15-13-22)21-16-19(8-9-19)17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-16H2,(H2,20,21,23)
InChIKeyBXWSBKBUCJIOMZ-UHFFFAOYSA-N
XLogP2.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzylmorpholine-4-carboxamide
CID 760018
N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)piperidine-1-carboxamide
CID 46882917
N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
2-Morpholin-4-yl-2-oxo-N-(1-phenyl-cyclopentylmethyl)-acetamide
CID 2296431
N-[1-(3-isopropenylphenyl)-1-methylethyl]-2,6-dimethyl-4-morpholinecarboxamide
CID 2883152
4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide
CID 25162499
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
N-[1-(3-isopropenylphenyl)-1-methylethyl]-4-morpholinecarboxamide
CID 2788460
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
CID 134156722

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea (CID 56813457) is 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea is O=C(NCCCCN1CCOCC1)NCC1(c2ccccc2)CC1.
What is the InChIKey of 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is BXWSBKBUCJIOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(20-10-4-5-11-22-12-14-24-15-13-22)21-16-19(8-9-19)17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-16H2,(H2,20,21,23).
What are the key properties of 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea?
1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylbutyl)-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 56813457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).