4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide

C19H29N3O5 — CID 120922707

IUPAC4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C2(CN)CCOCC2)cc1OC
InChIInChI=1S/C19H29N3O5/c1-3-21-17(23)12-27-15-5-4-14(10-16(15)25-2)11-22-18(24)19(13-20)6-8-26-9-7-19/h4-5,10H,3,6-9,11-13,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYDHIDUOZHYBAGJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.58
Rot. Bonds9

About 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide (PubChem CID 120922707) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide
PubChem CID120922707
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C2(CN)CCOCC2)cc1OC
InChIInChI=1S/C19H29N3O5/c1-3-21-17(23)12-27-15-5-4-14(10-16(15)25-2)11-22-18(24)19(13-20)6-8-26-9-7-19/h4-5,10H,3,6-9,11-13,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYDHIDUOZHYBAGJ-UHFFFAOYSA-N
XLogP0.58
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[(3-bromo-4-methoxyphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120930166
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120917677
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]oxane-4-carboxamide
CID 62993317
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
CID 62993835
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55881030
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020
ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 55745890
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide (CID 120922707) is 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide is CCNC(=O)COc1ccc(CNC(=O)C2(CN)CCOCC2)cc1OC.
What is the InChIKey of 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide?
The InChIKey is YDHIDUOZHYBAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-3-21-17(23)12-27-15-5-4-14(10-16(15)25-2)11-22-18(24)19(13-20)6-8-26-9-7-19/h4-5,10H,3,6-9,11-13,20H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 0.58, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 120922707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).