4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide

C14H29N3O2 — CID 83106921

IUPAC4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(C(C)N)C(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-6-16-13(18)11-9-19-8-7-17(11)12(10(2)15)14(3,4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyRSLXXRBGBOYJHI-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.59
Rot. Bonds4

About 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide

4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83106921) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide
PubChem CID83106921
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(C(C)N)C(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-6-16-13(18)11-9-19-8-7-17(11)12(10(2)15)14(3,4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyRSLXXRBGBOYJHI-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83103788
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83097771
4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100771
2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656
N-ethyl-4-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104052
4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83107069
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83106373
5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 83100910

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide (CID 83106921) is 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(C(C)N)C(C)(C)C.
What is the InChIKey of 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is RSLXXRBGBOYJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-16-13(18)11-9-19-8-7-17(11)12(10(2)15)14(3,4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18).
What are the key properties of 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide?
4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 271.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83106921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).