4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride

C15H28ClN3O3 — CID 120929053

IUPAC4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCC(=O)NC2CCCCC2)CCOCC1
InChIInChI=1S/C15H27N3O3.ClH/c16-11-15(6-8-21-9-7-15)14(20)17-10-13(19)18-12-4-2-1-3-5-12;/h12H,1-11,16H2,(H,17,20)(H,18,19);1H
InChIKeyRQGFGCGDCYHPHM-UHFFFAOYSA-N
MW333.86 g/mol
LogP0.73
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120929053) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
PubChem CID120929053
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Name4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCC(=O)NC2CCCCC2)CCOCC1
InChIInChI=1S/C15H27N3O3.ClH/c16-11-15(6-8-21-9-7-15)14(20)17-10-13(19)18-12-4-2-1-3-5-12;/h12H,1-11,16H2,(H,17,20)(H,18,19);1H
InChIKeyRQGFGCGDCYHPHM-UHFFFAOYSA-N
XLogP0.73
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
CID 115439786
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide
CID 79394609
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-cyclohexylacetic acid
CID 115439396
4-(aminomethyl)-N-(thian-4-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120928615
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120935393
4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
CID 120941198
4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120937591
4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
CID 120938295
4-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]oxane-4-carboxamide;dihydrochloride
CID 120939451

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride (CID 120929053) is 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NCC(=O)NC2CCCCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is RQGFGCGDCYHPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c16-11-15(6-8-21-9-7-15)14(20)17-10-13(19)18-12-4-2-1-3-5-12;/h12H,1-11,16H2,(H,17,20)(H,18,19);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120929053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).