2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide

C13H28N2O3 — CID 113406943

IUPAC2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide
SMILESCCOC(CCNC(C)C(=O)NC(C)C)OCC
InChIInChI=1S/C13H28N2O3/c1-6-17-12(18-7-2)8-9-14-11(5)13(16)15-10(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyBSPARJUYPBFBAS-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.28
Rot. Bonds10

About 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide

2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide (PubChem CID 113406943) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide
PubChem CID113406943
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide
SMILESCCOC(CCNC(C)C(=O)NC(C)C)OCC
InChIInChI=1S/C13H28N2O3/c1-6-17-12(18-7-2)8-9-14-11(5)13(16)15-10(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyBSPARJUYPBFBAS-UHFFFAOYSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-diethoxypropylamino)propanamide
CID 81095052
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173
3,3-diethoxypropylcarbamic acid
CID 21075732
4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
CID 60865224
methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101
5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
CID 103262467
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
CID 81092736
N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide
CID 115406651

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide (CID 113406943) is 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide is CCOC(CCNC(C)C(=O)NC(C)C)OCC.
What is the InChIKey of 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide?
The InChIKey is BSPARJUYPBFBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-6-17-12(18-7-2)8-9-14-11(5)13(16)15-10(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide?
2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113406943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).