2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide

C12H27N3O2 — CID 82937481

IUPAC2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)CN(C)C
InChIInChI=1S/C12H27N3O2/c1-10(9-15(3)4)14-11(2)12(16)13-7-6-8-17-5/h10-11,14H,6-9H2,1-5H3,(H,13,16)
InChIKeyOQYIKLNECWPGKY-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.07
Rot. Bonds9

About 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide

2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 82937481) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide
PubChem CID82937481
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)CN(C)C
InChIInChI=1S/C12H27N3O2/c1-10(9-15(3)4)14-11(2)12(16)13-7-6-8-17-5/h10-11,14H,6-9H2,1-5H3,(H,13,16)
InChIKeyOQYIKLNECWPGKY-UHFFFAOYSA-N
XLogP0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372145
2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide
CID 82937505
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
2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide
CID 112673851
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide (CID 82937481) is 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NC(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is OQYIKLNECWPGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-10(9-15(3)4)14-11(2)12(16)13-7-6-8-17-5/h10-11,14H,6-9H2,1-5H3,(H,13,16).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide?
2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 245.37 g/mol, XLogP of 0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 82937481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).