3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide

C23H25N3O4 — CID 51592403

IUPAC3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)c(NC(C)=O)c2c1
InChIInChI=1S/C23H25N3O4/c1-13(15-6-9-20-16(11-15)5-4-10-30-20)24-23(28)22-21(25-14(2)27)18-12-17(29-3)7-8-19(18)26-22/h6-9,11-13,26H,4-5,10H2,1-3H3,(H,24,28)(H,25,27)/t13-/m0/s1
InChIKeyTZEXQEAXULSGLQ-ZDUSSCGKSA-N
MW407.47 g/mol
LogP3.95
Rot. Bonds5

About 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide

3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 51592403) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID51592403
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)c(NC(C)=O)c2c1
InChIInChI=1S/C23H25N3O4/c1-13(15-6-9-20-16(11-15)5-4-10-30-20)24-23(28)22-21(25-14(2)27)18-12-17(29-3)7-8-19(18)26-22/h6-9,11-13,26H,4-5,10H2,1-3H3,(H,24,28)(H,25,27)/t13-/m0/s1
InChIKeyTZEXQEAXULSGLQ-ZDUSSCGKSA-N
XLogP3.95
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 51596231
3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 92628849
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 51592407
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51594327
(E)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 22605662
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51592399
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46971557
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 51587150
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybenzamide
CID 18155824

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide (CID 51592403) is 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)c(NC(C)=O)c2c1.
What is the InChIKey of 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is TZEXQEAXULSGLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-13(15-6-9-20-16(11-15)5-4-10-30-20)24-23(28)22-21(25-14(2)27)18-12-17(29-3)7-8-19(18)26-22/h6-9,11-13,26H,4-5,10H2,1-3H3,(H,24,28)(H,25,27)/t13-/m0/s1.
What are the key properties of 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide?
3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 51592403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).