(3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide

C18H23N3O3 — CID 110107560

IUPAC(3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide
SMILESCC(=O)N1C[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H](C(N)=O)C1
InChIInChI=1S/C18H23N3O3/c1-11(22)21-9-15(17(19)23)16(10-21)20-18(24)14-7-6-12-4-2-3-5-13(12)8-14/h6-8,15-16H,2-5,9-10H2,1H3,(H2,19,23)(H,20,24)/t15-,16+/m1/s1
InChIKeyDVWNWTSNLNEGHE-CVEARBPZSA-N
MW329.40 g/mol
LogP0.63
Rot. Bonds3

About (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide

(3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide (PubChem CID 110107560) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide
PubChem CID110107560
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide
SMILESCC(=O)N1C[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H](C(N)=O)C1
InChIInChI=1S/C18H23N3O3/c1-11(22)21-9-15(17(19)23)16(10-21)20-18(24)14-7-6-12-4-2-3-5-13(12)8-14/h6-8,15-16H,2-5,9-10H2,1H3,(H2,19,23)(H,20,24)/t15-,16+/m1/s1
InChIKeyDVWNWTSNLNEGHE-CVEARBPZSA-N
XLogP0.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43593856
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110125194
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholine-2-carboxamide
CID 94371347
N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91775311

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide (CID 110107560) is (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide is CC(=O)N1C[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H](C(N)=O)C1.
What is the InChIKey of (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide?
The InChIKey is DVWNWTSNLNEGHE-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(22)21-9-15(17(19)23)16(10-21)20-18(24)14-7-6-12-4-2-3-5-13(12)8-14/h6-8,15-16H,2-5,9-10H2,1H3,(H2,19,23)(H,20,24)/t15-,16+/m1/s1.
What are the key properties of (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide?
(3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-acetyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110107560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).