ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate

C19H27N3O5 — CID 75462855

IUPACethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)C(C)NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C19H27N3O5/c1-4-27-19(25)22(3)16-7-5-15(6-8-16)21-17(23)13(2)20-18(24)14-9-11-26-12-10-14/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeySQXANXAGZRBMAW-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.15
Rot. Bonds6

About ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate

ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate (PubChem CID 75462855) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate
PubChem CID75462855
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Nameethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)C(C)NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C19H27N3O5/c1-4-27-19(25)22(3)16-7-5-15(6-8-16)21-17(23)13(2)20-18(24)14-9-11-26-12-10-14/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeySQXANXAGZRBMAW-UHFFFAOYSA-N
XLogP2.15
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[benzyl(methyl)amino]anilino]-1-oxopropan-2-yl]oxane-4-carboxamide
CID 75462851
N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide
CID 75462890
N-[(2S)-1-(3-fluoro-4-methoxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175589
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175612
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide
CID 113000138
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597
N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94117942
ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate
CID 97253621
1-(2-amino-4-methylpentanoyl)-N-[1-(4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 4837129

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate (CID 75462855) is ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate is CCOC(=O)N(C)c1ccc(NC(=O)C(C)NC(=O)C2CCOCC2)cc1.
What is the InChIKey of ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate?
The InChIKey is SQXANXAGZRBMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-4-27-19(25)22(3)16-7-5-15(6-8-16)21-17(23)13(2)20-18(24)14-9-11-26-12-10-14/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate?
ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate has a molecular weight of 377.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 75462855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).