(2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide

C25H31NO3 — CID 100575737

IUPAC(2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc2c1CCCC2
InChIInChI=1S/C25H31NO3/c1-16-12-13-20-21(15-25(3,4)29-23(20)14-16)26-24(27)17(2)28-22-11-7-9-18-8-5-6-10-19(18)22/h7,9,11-14,17,21H,5-6,8,10,15H2,1-4H3,(H,26,27)/t17-,21-/m0/s1
InChIKeyKVEHFNYXCJJYNQ-UWJYYQICSA-N
MW393.53 g/mol
LogP5.06
Rot. Bonds4

About (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide

(2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide (PubChem CID 100575737) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
PubChem CID100575737
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name(2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc2c1CCCC2
InChIInChI=1S/C25H31NO3/c1-16-12-13-20-21(15-25(3,4)29-23(20)14-16)26-24(27)17(2)28-22-11-7-9-18-8-5-6-10-19(18)22/h7,9,11-14,17,21H,5-6,8,10,15H2,1-4H3,(H,26,27)/t17-,21-/m0/s1
InChIKeyKVEHFNYXCJJYNQ-UWJYYQICSA-N
XLogP5.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
2-(4-chlorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656172
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100761977
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 133184646
2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132655018
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100528268
2-(2-ethylphenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132657740
N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100545801
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100670206
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-ethylphenoxy)propanamide
CID 132653341
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The IUPAC name of (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide (CID 100575737) is (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide.
What is the SMILES notation for (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The canonical SMILES for (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide is Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc2c1CCCC2.
What is the InChIKey of (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The InChIKey is KVEHFNYXCJJYNQ-UWJYYQICSA-N. The full InChI is InChI=1S/C25H31NO3/c1-16-12-13-20-21(15-25(3,4)29-23(20)14-16)26-24(27)17(2)28-22-11-7-9-18-8-5-6-10-19(18)22/h7,9,11-14,17,21H,5-6,8,10,15H2,1-4H3,(H,26,27)/t17-,21-/m0/s1.
What are the key properties of (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
(2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide has a molecular weight of 393.53 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide is sourced from PubChem (CID 100575737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).