N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide

C12H25N3O2 — CID 108994233

IUPACN-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCN(C)CCCNC(=O)CNCC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-15(2)7-4-6-14-12(16)10-13-9-11-5-3-8-17-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyVPPYQUULCSDKGZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 108994233) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID108994233
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCN(C)CCCNC(=O)CNCC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-15(2)7-4-6-14-12(16)10-13-9-11-5-3-8-17-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyVPPYQUULCSDKGZ-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.18
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-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60671403
1-[3-(dimethylamino)propyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 27450952
methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119726630
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
N-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 108994232
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672529
2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide
CID 175801749

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 108994233) is N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide is CN(C)CCCNC(=O)CNCC1CCCO1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is VPPYQUULCSDKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-15(2)7-4-6-14-12(16)10-13-9-11-5-3-8-17-11/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 108994233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).