4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide

C12H23N3O3 — CID 83097073

IUPAC4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCNCCC(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C12H23N3O3/c1-9(2)14-12(17)10-8-18-7-6-15(10)11(16)4-5-13-3/h9-10,13H,4-8H2,1-3H3,(H,14,17)
InChIKeyGOBFGKFPRVUYPW-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds5

About 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83097073) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83097073
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCNCCC(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C12H23N3O3/c1-9(2)14-12(17)10-8-18-7-6-15(10)11(16)4-5-13-3/h9-10,13H,4-8H2,1-3H3,(H,14,17)
InChIKeyGOBFGKFPRVUYPW-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
CID 83097068
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490
4-(2-piperidin-3-ylacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099192
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83097073) is 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide is CNCCC(=O)N1CCOCC1C(=O)NC(C)C.
What is the InChIKey of 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is GOBFGKFPRVUYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)14-12(17)10-8-18-7-6-15(10)11(16)4-5-13-3/h9-10,13H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83097073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).