N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide

C20H40N2O3 — CID 614798

IUPACN,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
SMILESCCCCCCCN(C)C(=O)C(OC)C(=O)N(C)CCCCCCC
InChIInChI=1S/C20H40N2O3/c1-6-8-10-12-14-16-21(3)19(23)18(25-5)20(24)22(4)17-15-13-11-9-7-2/h18H,6-17H2,1-5H3
InChIKeyLVKMFXSJTHWEEU-UHFFFAOYSA-N
MW356.55 g/mol
LogP3.86
Rot. Bonds15

About N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide

N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide (PubChem CID 614798) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
PubChem CID614798
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC NameN,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
SMILESCCCCCCCN(C)C(=O)C(OC)C(=O)N(C)CCCCCCC
InChIInChI=1S/C20H40N2O3/c1-6-8-10-12-14-16-21(3)19(23)18(25-5)20(24)22(4)17-15-13-11-9-7-2/h18H,6-17H2,1-5H3
InChIKeyLVKMFXSJTHWEEU-UHFFFAOYSA-N
XLogP3.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl N-hexyl-N-methylcarbamate
CID 14923771
N-hexyl-N',2-dimethyl-N,N'-dioctylpropanediamide
CID 87219265
methyl 3-methyl-2-[methyl(pentyl)carbamoyl]butanoate
CID 115188093
(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
CID 11420901
(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
CID 143155247
N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
CID 14944519
N,N'-dibutyl-N,N'-dimethyl-2-octadecylpropanediamide
CID 71348515
4-[dodecyl(methyl)amino]-3-hydroxy-4-oxobutanoic acid
CID 139889658
2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
CID 168943795
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
hexadecyl(methyl)carbamic acid
CID 15173799
N-decyl-N-methylacetamide
CID 22114742

Frequently Asked Questions

What is the IUPAC name of N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide?
The IUPAC name of N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide (CID 614798) is N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide.
What is the SMILES notation for N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide?
The canonical SMILES for N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide is CCCCCCCN(C)C(=O)C(OC)C(=O)N(C)CCCCCCC.
What is the InChIKey of N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide?
The InChIKey is LVKMFXSJTHWEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O3/c1-6-8-10-12-14-16-21(3)19(23)18(25-5)20(24)22(4)17-15-13-11-9-7-2/h18H,6-17H2,1-5H3.
What are the key properties of N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide?
N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide has a molecular weight of 356.55 g/mol, XLogP of 3.86, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide is sourced from PubChem (CID 614798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).