6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

C16H24N2O3 — CID 120831058

IUPAC6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)CC(C(=O)NCC(C)NC)CO2
InChIInChI=1S/C16H24N2O3/c1-4-20-14-5-6-15-12(8-14)7-13(10-21-15)16(19)18-9-11(2)17-3/h5-6,8,11,13,17H,4,7,9-10H2,1-3H3,(H,18,19)
InChIKeyWXPAFWFORMNTFR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.36
Rot. Bonds6

About 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 120831058) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID120831058
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)CC(C(=O)NCC(C)NC)CO2
InChIInChI=1S/C16H24N2O3/c1-4-20-14-5-6-15-12(8-14)7-13(10-21-15)16(19)18-9-11(2)17-3/h5-6,8,11,13,17H,4,7,9-10H2,1-3H3,(H,18,19)
InChIKeyWXPAFWFORMNTFR-UHFFFAOYSA-N
XLogP1.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86962053
N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896269
6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896247
6-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86897008
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896297
2-[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]acetic acid
CID 119172257
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
(2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86896284

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 120831058) is 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCOc1ccc2c(c1)CC(C(=O)NCC(C)NC)CO2.
What is the InChIKey of 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is WXPAFWFORMNTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-20-14-5-6-15-12(8-14)7-13(10-21-15)16(19)18-9-11(2)17-3/h5-6,8,11,13,17H,4,7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 120831058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).