N-(2-amino-3-methoxypropyl)-N-methylheptanamide

C12H26N2O2 — CID 114754106

IUPACN-(2-amino-3-methoxypropyl)-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)CC(N)COC
InChIInChI=1S/C12H26N2O2/c1-4-5-6-7-8-12(15)14(2)9-11(13)10-16-3/h11H,4-10,13H2,1-3H3
InChIKeyDEIMBRGZUPJGRL-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.39
Rot. Bonds9

About N-(2-amino-3-methoxypropyl)-N-methylheptanamide

N-(2-amino-3-methoxypropyl)-N-methylheptanamide (PubChem CID 114754106) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N-methylheptanamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N-methylheptanamide
PubChem CID114754106
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(2-amino-3-methoxypropyl)-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)CC(N)COC
InChIInChI=1S/C12H26N2O2/c1-4-5-6-7-8-12(15)14(2)9-11(13)10-16-3/h11H,4-10,13H2,1-3H3
InChIKeyDEIMBRGZUPJGRL-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
N-(2-bromo-3-methoxypropyl)-N-methyldecanamide
CID 80671744
N-(3-amino-2-methylpropyl)-N-methyldecanamide
CID 65448907
N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
N-(2-amino-3-methoxypropyl)-N,2,2-trimethylbutanamide
CID 63754024
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 98049415
N-methyl-N-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 95566091

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N-methylheptanamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N-methylheptanamide (CID 114754106) is N-(2-amino-3-methoxypropyl)-N-methylheptanamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N-methylheptanamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N-methylheptanamide is CCCCCCC(=O)N(C)CC(N)COC.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N-methylheptanamide?
The InChIKey is DEIMBRGZUPJGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-5-6-7-8-12(15)14(2)9-11(13)10-16-3/h11H,4-10,13H2,1-3H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N-methylheptanamide?
N-(2-amino-3-methoxypropyl)-N-methylheptanamide has a molecular weight of 230.35 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-N-methylheptanamide is sourced from PubChem (CID 114754106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).