N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C23H26N2O2 — CID 46557813

IUPACN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CCCc2ccccc21
InChIInChI=1S/C23H26N2O2/c26-22(21-9-5-7-18-6-1-2-8-20(18)21)24-16-17-10-12-19(13-11-17)23(27)25-14-3-4-15-25/h1-2,6,8,10-13,21H,3-5,7,9,14-16H2,(H,24,26)
InChIKeyKDXJDMOXMYJRTR-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.66
Rot. Bonds4

About N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 46557813) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID46557813
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CCCc2ccccc21
InChIInChI=1S/C23H26N2O2/c26-22(21-9-5-7-18-6-1-2-8-20(18)21)24-16-17-10-12-19(13-11-17)23(27)25-14-3-4-15-25/h1-2,6,8,10-13,21H,3-5,7,9,14-16H2,(H,24,26)
InChIKeyKDXJDMOXMYJRTR-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 97118131
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55715034
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48502605
N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55902019
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42947168
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 118789794
(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 96537932
(1S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51953637
1-(benzenesulfonyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46581681

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 46557813) is N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CCCc2ccccc21.
What is the InChIKey of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is KDXJDMOXMYJRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-22(21-9-5-7-18-6-1-2-8-20(18)21)24-16-17-10-12-19(13-11-17)23(27)25-14-3-4-15-25/h1-2,6,8,10-13,21H,3-5,7,9,14-16H2,(H,24,26).
What are the key properties of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 46557813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).