tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate

C17H26N2O4 — CID 86673951

IUPACtert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
SMILESCOc1cccc(CCNC(=O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)19-11-9-15(20)18-10-8-13-6-5-7-14(12-13)22-4/h5-7,12H,8-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyKAFOFEMAPYDVMO-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.27
Rot. Bonds7

About tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate

tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate (PubChem CID 86673951) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
PubChem CID86673951
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
SMILESCOc1cccc(CCNC(=O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)19-11-9-15(20)18-10-8-13-6-5-7-14(12-13)22-4/h5-7,12H,8-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyKAFOFEMAPYDVMO-UHFFFAOYSA-N
XLogP2.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94178640
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
tert-butyl N-[3-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921420
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025525
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate (CID 86673951) is tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate is COc1cccc(CCNC(=O)CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate?
The InChIKey is KAFOFEMAPYDVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)19-11-9-15(20)18-10-8-13-6-5-7-14(12-13)22-4/h5-7,12H,8-11H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate has a molecular weight of 322.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 86673951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).