N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide

C12H24N2O2 — CID 103724771

IUPACN-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCC1(C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(14-9-12(2)5-6-12)11(15)13-7-4-8-16-3/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyGMDOHTZYUKPUPI-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds8

About N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide

N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide (PubChem CID 103724771) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
PubChem CID103724771
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCC1(C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(14-9-12(2)5-6-12)11(15)13-7-4-8-16-3/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyGMDOHTZYUKPUPI-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
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-(3-methoxypropyl)-2-[(4-methyloxan-4-yl)methylamino]propanamide
CID 103742237
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
CID 107163797
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
CID 103966438
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
CID 103723918
2-[(1-methylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103724720
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide
CID 115760932

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide (CID 103724771) is N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide is COCCCNC(=O)C(C)NCC1(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide?
The InChIKey is GMDOHTZYUKPUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(14-9-12(2)5-6-12)11(15)13-7-4-8-16-3/h10,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide?
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide is sourced from PubChem (CID 103724771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).