3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide

C13H28N2O2 — CID 115676517

IUPAC3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide
SMILESCCCC(CCC)NCCC(=O)NCCOC
InChIInChI=1S/C13H28N2O2/c1-4-6-12(7-5-2)14-9-8-13(16)15-10-11-17-3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyKVRTVKQXZGHUCL-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.70
Rot. Bonds11

About 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide

3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide (PubChem CID 115676517) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide
PubChem CID115676517
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide
SMILESCCCC(CCC)NCCC(=O)NCCOC
InChIInChI=1S/C13H28N2O2/c1-4-6-12(7-5-2)14-9-8-13(16)15-10-11-17-3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyKVRTVKQXZGHUCL-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.70
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-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
CID 115712027
2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide
CID 113410594
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
3-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 112700222
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
CID 113260438
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
1-methoxy-N-propylhexan-3-amine
CID 61412304
N-ethyl-3-(4-methoxybutan-2-ylamino)propanamide
CID 64603036
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
CID 103868364
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118

Frequently Asked Questions

What is the IUPAC name of 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide (CID 115676517) is 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide is CCCC(CCC)NCCC(=O)NCCOC.
What is the InChIKey of 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide?
The InChIKey is KVRTVKQXZGHUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-6-12(7-5-2)14-9-8-13(16)15-10-11-17-3/h12,14H,4-11H2,1-3H3,(H,15,16).
What are the key properties of 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide?
3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.70, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115676517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).