1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide

C15H22N2O3 — CID 115452933

IUPAC1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1CN(CCO)C(=O)C1(CN)CC1
InChIInChI=1S/C15H22N2O3/c1-20-13-5-3-2-4-12(13)10-17(8-9-18)14(19)15(11-16)6-7-15/h2-5,18H,6-11,16H2,1H3
InChIKeyCVKNGDSNECPFAU-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.75
Rot. Bonds7

About 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 115452933) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID115452933
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1CN(CCO)C(=O)C1(CN)CC1
InChIInChI=1S/C15H22N2O3/c1-20-13-5-3-2-4-12(13)10-17(8-9-18)14(19)15(11-16)6-7-15/h2-5,18H,6-11,16H2,1H3
InChIKeyCVKNGDSNECPFAU-UHFFFAOYSA-N
XLogP0.75
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 61067842
2-[2-[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569624
(2S)-2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 61162884
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950154
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 115452933) is 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccccc1CN(CCO)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CVKNGDSNECPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-13-5-3-2-4-12(13)10-17(8-9-18)14(19)15(11-16)6-7-15/h2-5,18H,6-11,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).