2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide

C14H28N2O2 — CID 108957255

IUPAC2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)NC(C)C
InChIInChI=1S/C14H28N2O2/c1-7-9-16(10-8-2)13(18)14(5,6)12(17)15-11(3)4/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyMBWOBUVWYQMFBR-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.19
Rot. Bonds7

About 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide

2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide (PubChem CID 108957255) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide
PubChem CID108957255
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)NC(C)C
InChIInChI=1S/C14H28N2O2/c1-7-9-16(10-8-2)13(18)14(5,6)12(17)15-11(3)4/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyMBWOBUVWYQMFBR-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide
CID 108962146
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
CID 108956970
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966874
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
CID 108960910
3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821282
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957229
3-chloro-2,2-dimethyl-N,N-dipropylpropanamide
CID 63680887
2-methyl-N-propan-2-yl-2-sulfanylbutanamide
CID 176964784
2-formamido-2-methyl-N,N-dipropylpropanamide
CID 88885839
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
CID 108961072

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide?
The IUPAC name of 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide (CID 108957255) is 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide.
What is the SMILES notation for 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide?
The canonical SMILES for 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide is CCCN(CCC)C(=O)C(C)(C)C(=O)NC(C)C.
What is the InChIKey of 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide?
The InChIKey is MBWOBUVWYQMFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-9-16(10-8-2)13(18)14(5,6)12(17)15-11(3)4/h11H,7-10H2,1-6H3,(H,15,17).
What are the key properties of 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide?
2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide has a molecular weight of 256.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide is sourced from PubChem (CID 108957255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).