2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide

C13H27N3O2 — CID 43236665

IUPAC2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(2)15-13(17)12(3)14-5-4-6-16-7-9-18-10-8-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyXJPQMMPYBKILJB-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds7

About 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide

2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide (PubChem CID 43236665) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide
PubChem CID43236665
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(2)15-13(17)12(3)14-5-4-6-16-7-9-18-10-8-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyXJPQMMPYBKILJB-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
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-methyl-2-(3-morpholin-4-ylpropylamino)propanamide
CID 43236781
tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
CID 66336839
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
methyl 2-methyl-3-(3-morpholin-4-ylpropylamino)butanoate
CID 79392477
N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60677024
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60721100
2-(2-morpholin-4-ylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083600
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide (CID 43236665) is 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide?
The InChIKey is XJPQMMPYBKILJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)15-13(17)12(3)14-5-4-6-16-7-9-18-10-8-16/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide?
2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43236665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).