1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide

C14H20N2O3 — CID 115452621

IUPAC1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-8-9-19-12-4-2-11(3-5-12)16-13(17)14(10-15)6-7-14/h2-5H,6-10,15H2,1H3,(H,16,17)
InChIKeyHDALFSJLRCZKGJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.39
Rot. Bonds7

About 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 115452621) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID115452621
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-8-9-19-12-4-2-11(3-5-12)16-13(17)14(10-15)6-7-14/h2-5H,6-10,15H2,1H3,(H,16,17)
InChIKeyHDALFSJLRCZKGJ-UHFFFAOYSA-N
XLogP1.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
1-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 115434828
2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid
CID 115448556
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide
CID 100708275
4-(aminomethyl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120917251
4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
CID 115453529
methyl 4-[4-[(1-aminocyclopropanecarbonyl)amino]phenoxy]butanoate
CID 119784178

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide (CID 115452621) is 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide is COCCOc1ccc(NC(=O)C2(CN)CC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is HDALFSJLRCZKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-8-9-19-12-4-2-11(3-5-12)16-13(17)14(10-15)6-7-14/h2-5H,6-10,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).