N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide

C12H23N3O3 — CID 112701693

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
SMILESCC(NC(=O)C1COCCN1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O3/c1-8(10(16)15-12(2,3)4)14-11(17)9-7-18-6-5-13-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyQGCSLMGMUVURAO-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.61
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide (PubChem CID 112701693) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
PubChem CID112701693
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
SMILESCC(NC(=O)C1COCCN1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O3/c1-8(10(16)15-12(2,3)4)14-11(17)9-7-18-6-5-13-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyQGCSLMGMUVURAO-UHFFFAOYSA-N
XLogP-0.61
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
CID 119692656
N-[(2R)-1-hydroxypropan-2-yl]morpholine-3-carboxamide
CID 107218691
N-(4-hydroxybutan-2-yl)morpholine-3-carboxamide
CID 83177558
N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119750954
N-[(2R)-1-aminopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 130674305
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119748183
N-(1-cyclohexylethyl)morpholine-3-carboxamide;hydrochloride
CID 119705705
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 47798207
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
N-[1-(2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119686030
N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride
CID 119860535

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide (CID 112701693) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide is CC(NC(=O)C1COCCN1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide?
The InChIKey is QGCSLMGMUVURAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(10(16)15-12(2,3)4)14-11(17)9-7-18-6-5-13-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 112701693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).