1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea

C11H21N3O3 — CID 78879528

IUPAC1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
SMILESCONC(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C11H21N3O3/c1-17-13-11(16)12-7-5-9-14-8-4-2-3-6-10(14)15/h2-9H2,1H3,(H2,12,13,16)
InChIKeyIQRNUAPCXWIGIV-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.64
Rot. Bonds5

About 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea

1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea (PubChem CID 78879528) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea.

Molecular Properties

Compound Name1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
PubChem CID78879528
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
SMILESCONC(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C11H21N3O3/c1-17-13-11(16)12-7-5-9-14-8-4-2-3-6-10(14)15/h2-9H2,1H3,(H2,12,13,16)
InChIKeyIQRNUAPCXWIGIV-UHFFFAOYSA-N
XLogP0.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
CID 119687909
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 134061158
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
3-(1-hydroxycyclohexyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-ynamide
CID 134852898
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108891289

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea?
The IUPAC name of 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea (CID 78879528) is 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea.
What is the SMILES notation for 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea?
The canonical SMILES for 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea is CONC(=O)NCCCN1CCCCCC1=O.
What is the InChIKey of 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea?
The InChIKey is IQRNUAPCXWIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-17-13-11(16)12-7-5-9-14-8-4-2-3-6-10(14)15/h2-9H2,1H3,(H2,12,13,16).
What are the key properties of 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea?
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea has a molecular weight of 243.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea is sourced from PubChem (CID 78879528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).