N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide

C13H28N2O2 — CID 43372145

IUPACN-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)9-11(3)15-12(4)13(16)14-7-6-8-17-5/h10-12,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyMCGSFEUCPFYUAP-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.55
Rot. Bonds9

About N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide

N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide (PubChem CID 43372145) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
PubChem CID43372145
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)9-11(3)15-12(4)13(16)14-7-6-8-17-5/h10-12,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyMCGSFEUCPFYUAP-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.55
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

2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide
CID 82937481
(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide
CID 118216551
N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372144
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoic acid
CID 43468233
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81395208
2-[[(1R)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81394890
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate
CID 43723692
(2R)-N-methyl-2-(4-methylpentan-2-ylamino)propanamide
CID 103932028
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide (CID 43372145) is N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide is COCCCNC(=O)C(C)NC(C)CC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide?
The InChIKey is MCGSFEUCPFYUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)9-11(3)15-12(4)13(16)14-7-6-8-17-5/h10-12,15H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide?
N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide is sourced from PubChem (CID 43372145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).