N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide

C14H29N3O3 — CID 60952989

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCOCCCNC(=O)CN(C)C(=O)CCCNC(C)C
InChIInChI=1S/C14H29N3O3/c1-12(2)15-8-5-7-14(19)17(3)11-13(18)16-9-6-10-20-4/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyDFENXYPCUJUZTH-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.38
Rot. Bonds11

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide (PubChem CID 60952989) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
PubChem CID60952989
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCOCCCNC(=O)CN(C)C(=O)CCCNC(C)C
InChIInChI=1S/C14H29N3O3/c1-12(2)15-8-5-7-14(19)17(3)11-13(18)16-9-6-10-20-4/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyDFENXYPCUJUZTH-UHFFFAOYSA-N
XLogP0.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.38
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

6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 60951961
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 54874049
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
CID 60660409
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79286861
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 54874167
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 61163445
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62838866
4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445610

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide (CID 60952989) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide is COCCCNC(=O)CN(C)C(=O)CCCNC(C)C.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide?
The InChIKey is DFENXYPCUJUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-12(2)15-8-5-7-14(19)17(3)11-13(18)16-9-6-10-20-4/h12,15H,5-11H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide has a molecular weight of 287.40 g/mol, XLogP of 0.38, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60952989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).