N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide

C16H24N2O2 — CID 114758920

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC2(CCN)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-3-2-4-14(11-13)20-10-5-15(19)18-12-16(6-7-16)8-9-17/h2-4,11H,5-10,12,17H2,1H3,(H,18,19)
InChIKeyMIOXICIHSRSBSL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds8

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide (PubChem CID 114758920) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
PubChem CID114758920
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC2(CCN)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-3-2-4-14(11-13)20-10-5-15(19)18-12-16(6-7-16)8-9-17/h2-4,11H,5-10,12,17H2,1H3,(H,18,19)
InChIKeyMIOXICIHSRSBSL-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 115365510
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114750853
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
4-[[5-(3-methylphenoxy)pentanoylamino]methyl]oxane-4-carboxylic acid
CID 120541660
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
CID 79676153
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide (CID 114758920) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCC2(CCN)CC2)c1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is MIOXICIHSRSBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-3-2-4-14(11-13)20-10-5-15(19)18-12-16(6-7-16)8-9-17/h2-4,11H,5-10,12,17H2,1H3,(H,18,19).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 114758920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).