4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide

C15H29N3O3 — CID 83097997

IUPAC4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)CC(CN)CC(C)C
InChIInChI=1S/C15H29N3O3/c1-4-17-15(20)13-10-21-6-5-18(13)14(19)8-12(9-16)7-11(2)3/h11-13H,4-10,16H2,1-3H3,(H,17,20)
InChIKeyBQHYFRIVJIQMLG-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.36
Rot. Bonds7

About 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide

4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83097997) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83097997
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)CC(CN)CC(C)C
InChIInChI=1S/C15H29N3O3/c1-4-17-15(20)13-10-21-6-5-18(13)14(19)8-12(9-16)7-11(2)3/h11-13H,4-10,16H2,1-3H3,(H,17,20)
InChIKeyBQHYFRIVJIQMLG-UHFFFAOYSA-N
XLogP0.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide
CID 83102641
4-[3-(aminomethyl)pentanoyl]morpholine-3-carboxamide
CID 83102085
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83106373
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
N-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-3-carboxamide
CID 112605644
4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097999
4-(2-carbamothioylbutanoyl)-N-ethylmorpholine-3-carboxamide
CID 83097501

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide (CID 83097997) is 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)CC(CN)CC(C)C.
What is the InChIKey of 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is BQHYFRIVJIQMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-17-15(20)13-10-21-6-5-18(13)14(19)8-12(9-16)7-11(2)3/h11-13H,4-10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide?
4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83097997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).